4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol

C128H117Br2N5O19S7 — CID 157055716

IUPAC4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol
SMILESCCCCCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1OC.COc1c(SCC(=O)O)cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12.COc1c(SCC(=O)O)cc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c2ccccc12.COc1c(SCC(N)=O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12.COc1ccc(CCc2ccccc2)c2ccccc12.Oc1ccc(CCc2ccccc2)c2ccccc12
InChIInChI=1S/2C25H21NO5S2.C22H24BrNO3S.C19H17BrN2O4S2.C19H18O.C18H16O/c1-31-25-21-13-6-5-12-20(21)22(15-23(25)32-16-24(27)28)26-33(29,30)19-11-7-10-18(14-19)17-8-3-2-4-9-17;1-31-25-21-10-6-5-9-20(21)22(15-23(25)32-16-24(27)28)26-33(29,30)19-13-11-18(12-14-19)17-7-3-2-4-8-17;1-3-4-5-8-16-15-21(19-9-6-7-10-20(19)22(16)27-2)24-28(25,26)18-13-11-17(23)12-14-18;1-26-19-15-5-3-2-4-14(15)16(10-17(19)27-11-18(21)23)22-28(24,25)13-8-6-12(20)7-9-13;1-20-19-14-13-16(17-9-5-6-10-18(17)19)12-11-15-7-3-2-4-8-15;19-18-13-12-15(16-8-4-5-9-17(16)18)11-10-14-6-2-1-3-7-14/h2*2-15,26H,16H2,1H3,(H,27,28);6-7,9-15,24H,3-5,8H2,1-2H3;2-10,22H,11H2,1H3,(H2,21,23);2-10,13-14H,11-12H2,1H3;1-9,12-13,19H,10-11H2
InChIKeyAASPYVUIIJRAOY-UHFFFAOYSA-N
MW2413.64 g/mol
LogP30.08
Rot. Bonds38

About 4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol

4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol (PubChem CID 157055716) has the molecular formula C128H117Br2N5O19S7 and a molecular weight of 2413.64 g/mol. Its IUPAC name is 4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol
PubChem CID157055716
Molecular FormulaC128H117Br2N5O19S7
Molecular Weight2413.64 g/mol
Exact Mass2409.48
IUPAC Name4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol
SMILESCCCCCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1OC.COc1c(SCC(=O)O)cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12.COc1c(SCC(=O)O)cc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c2ccccc12.COc1c(SCC(N)=O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12.COc1ccc(CCc2ccccc2)c2ccccc12.Oc1ccc(CCc2ccccc2)c2ccccc12
InChIInChI=1S/2C25H21NO5S2.C22H24BrNO3S.C19H17BrN2O4S2.C19H18O.C18H16O/c1-31-25-21-13-6-5-12-20(21)22(15-23(25)32-16-24(27)28)26-33(29,30)19-11-7-10-18(14-19)17-8-3-2-4-9-17;1-31-25-21-10-6-5-9-20(21)22(15-23(25)32-16-24(27)28)26-33(29,30)19-13-11-18(12-14-19)17-7-3-2-4-8-17;1-3-4-5-8-16-15-21(19-9-6-7-10-20(19)22(16)27-2)24-28(25,26)18-13-11-17(23)12-14-18;1-26-19-15-5-3-2-4-14(15)16(10-17(19)27-11-18(21)23)22-28(24,25)13-8-6-12(20)7-9-13;1-20-19-14-13-16(17-9-5-6-10-18(17)19)12-11-15-7-3-2-4-8-15;19-18-13-12-15(16-8-4-5-9-17(16)18)11-10-14-6-2-1-3-7-14/h2*2-15,26H,16H2,1H3,(H,27,28);6-7,9-15,24H,3-5,8H2,1-2H3;2-10,22H,11H2,1H3,(H2,21,23);2-10,13-14H,11-12H2,1H3;1-9,12-13,19H,10-11H2
InChIKeyAASPYVUIIJRAOY-UHFFFAOYSA-N
XLogP30.08
TPSA368.75 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds38
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002413.64
LogP ≤ 530.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol with MolForge

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Related Compounds

2-[4-[(4-chlorophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetic acid
CID 123439973
2-[1-hydroxy-4-[(4-methylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
CID 1184112
4-bromo-N-(3-butylsulfanyl-4-hydroxynaphthalen-1-yl)benzenesulfonamide;4-bromo-N-[4-hydroxy-3-(2-oxopropylsulfanyl)naphthalen-1-yl]benzenesulfonamide;4-bromo-N-(4-hydroxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;4-bromo-N-(4-hydroxy-3-propylsulfanylnaphthalen-1-yl)benzenesulfonamide;N-[4-hydroxy-3-(3-oxobutyl)naphthalen-1-yl]thiophene-2-sulfonamide
CID 159032204
3-[4-[(4-bromophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]propanoic acid
CID 166635591
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068095
2-[1,4-bis[(4-ethoxyphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid
CID 134141598
3-(benzenesulfonamido)-N-(4-bromophenyl)-4-methoxybenzenesulfonamide
CID 26982440
2-[4-[(4-chlorophenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid
CID 1309516
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 99945696
2-[4-[(3-cyclohexyl-4-ethoxyphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid
CID 89493612
N-(3-benzylsulfanyl-4-hydroxynaphthalen-1-yl)-4-methylbenzenesulfonamide
CID 1297152
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94860886

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol?
The IUPAC name of 4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol (CID 157055716) is 4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol.
What is the SMILES notation for 4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol?
The canonical SMILES for 4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol is CCCCCc1cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2c1OC.COc1c(SCC(=O)O)cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)c2ccccc12.COc1c(SCC(=O)O)cc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c2ccccc12.COc1c(SCC(N)=O)cc(NS(=O)(=O)c2ccc(Br)cc2)c2ccccc12.COc1ccc(CCc2ccccc2)c2ccccc12.Oc1ccc(CCc2ccccc2)c2ccccc12.
What is the InChIKey of 4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol?
The InChIKey is AASPYVUIIJRAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H21NO5S2.C22H24BrNO3S.C19H17BrN2O4S2.C19H18O.C18H16O/c1-31-25-21-13-6-5-12-20(21)22(15-23(25)32-16-24(27)28)26-33(29,30)19-11-7-10-18(14-19)17-8-3-2-4-9-17;1-31-25-21-10-6-5-9-20(21)22(15-23(25)32-16-24(27)28)26-33(29,30)19-13-11-18(12-14-19)17-7-3-2-4-8-17;1-3-4-5-8-16-15-21(19-9-6-7-10-20(19)22(16)27-2)24-28(25,26)18-13-11-17(23)12-14-18;1-26-19-15-5-3-2-4-14(15)16(10-17(19)27-11-18(21)23)22-28(24,25)13-8-6-12(20)7-9-13;1-20-19-14-13-16(17-9-5-6-10-18(17)19)12-11-15-7-3-2-4-8-15;19-18-13-12-15(16-8-4-5-9-17(16)18)11-10-14-6-2-1-3-7-14/h2*2-15,26H,16H2,1H3,(H,27,28);6-7,9-15,24H,3-5,8H2,1-2H3;2-10,22H,11H2,1H3,(H2,21,23);2-10,13-14H,11-12H2,1H3;1-9,12-13,19H,10-11H2.
What are the key properties of 4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol?
4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol has a molecular weight of 2413.64 g/mol, XLogP of 30.08, 38 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methoxy-3-pentylnaphthalen-1-yl)benzenesulfonamide;2-[4-[(4-bromophenyl)sulfonylamino]-1-methoxynaphthalen-2-yl]sulfanylacetamide;1-methoxy-4-(2-phenylethyl)naphthalene;2-[1-methoxy-4-[(3-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;2-[1-methoxy-4-[(4-phenylphenyl)sulfonylamino]naphthalen-2-yl]sulfanylacetic acid;4-(2-phenylethyl)naphthalen-1-ol is sourced from PubChem (CID 157055716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).