N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide

C27H28N2O4S — CID 1168903

IUPACN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1
InChIInChI=1S/C27H28N2O4S/c1-19-15-20(2)26-22(16-19)17-23(27(30)28-26)18-29(14-13-21-7-5-4-6-8-21)34(31,32)25-11-9-24(33-3)10-12-25/h4-12,15-17H,13-14,18H2,1-3H3,(H,28,30)
InChIKeyPYKAHJMKZLSNSW-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.59
Rot. Bonds8

About N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 1168903) has the molecular formula C27H28N2O4S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
PubChem CID1168903
Molecular FormulaC27H28N2O4S
Molecular Weight476.60 g/mol
Exact Mass476.18
IUPAC NameN-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1
InChIInChI=1S/C27H28N2O4S/c1-19-15-20(2)26-22(16-19)17-23(27(30)28-26)18-29(14-13-21-7-5-4-6-8-21)34(31,32)25-11-9-24(33-3)10-12-25/h4-12,15-17H,13-14,18H2,1-3H3,(H,28,30)
InChIKeyPYKAHJMKZLSNSW-UHFFFAOYSA-N
XLogP4.59
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 1168902
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1162081
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1168721
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1165503
4-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 135509255
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)propanamide
CID 1453861
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1168875
3-benzyl-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]thiourea
CID 1141128
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1162186
4-methoxy-N-(2-methoxyethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 4903579
4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 24850393
N-butyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 2028486

Frequently Asked Questions

What is the IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide (CID 1168903) is N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1.
What is the InChIKey of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is PYKAHJMKZLSNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4S/c1-19-15-20(2)26-22(16-19)17-23(27(30)28-26)18-29(14-13-21-7-5-4-6-8-21)34(31,32)25-11-9-24(33-3)10-12-25/h4-12,15-17H,13-14,18H2,1-3H3,(H,28,30).
What are the key properties of N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 476.60 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 1168903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).