2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide

C26H25N3O7S2 — CID 177380626

IUPAC2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N(CC(N)=O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H25N3O7S2/c1-35-18-7-11-20(12-8-18)37(31,32)28-24-15-16-25(23-6-4-3-5-22(23)24)29(17-26(27)30)38(33,34)21-13-9-19(36-2)10-14-21/h3-16,28H,17H2,1-2H3,(H2,27,30)
InChIKeyWGYGFQFSIPMBHW-UHFFFAOYSA-N
MW555.63 g/mol
LogP3.34
Rot. Bonds10

About 2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide

2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide (PubChem CID 177380626) has the molecular formula C26H25N3O7S2 and a molecular weight of 555.63 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide
PubChem CID177380626
Molecular FormulaC26H25N3O7S2
Molecular Weight555.63 g/mol
Exact Mass555.11
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N(CC(N)=O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
InChIInChI=1S/C26H25N3O7S2/c1-35-18-7-11-20(12-8-18)37(31,32)28-24-15-16-25(23-6-4-3-5-22(23)24)29(17-26(27)30)38(33,34)21-13-9-19(36-2)10-14-21/h3-16,28H,17H2,1-2H3,(H2,27,30)
InChIKeyWGYGFQFSIPMBHW-UHFFFAOYSA-N
XLogP3.34
TPSA145.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.63
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetic acid
CID 77461035
methyl 2-[(4-methoxyphenyl)sulfonyl-[4-[[4-[[4-[3-[[4-[4-[[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]sulfamoyl]anilino]-4-oxobutanoyl]amino]propylamino]-4-oxobutanoyl]amino]phenyl]sulfonylamino]naphthalen-1-yl]amino]acetate
CID 171060780
3-[2-[2-[3-[4-[(2-amino-2-oxoethyl)-[4-[(2-amino-2-oxoethyl)-(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]sulfamoyl]anilino]-3-oxopropoxy]ethoxy]ethoxy]-N-[4-[(2-amino-2-oxoethyl)-[4-[(2-amino-2-oxoethyl)-(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]sulfamoyl]phenyl]propanamide
CID 175679074
N-[4-[(2-amino-2-oxoethyl)-[4-[(2-amino-2-oxoethyl)-(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpyrazin-1-yl)acetamide
CID 164513526
(2S)-2-[[4-[carboxymethyl-(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]-4-methylsulfonylbutanoic acid
CID 155547540
dipotassium;hydride;methyl 2-bromoacetate;methyl (3S)-3-[(4-chlorophenyl)methyl-[4-[(2-methoxy-2-oxoethyl)-(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]butanoate;methyl (3S)-3-[(4-chlorophenyl)methyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]butanoate;oxido formate
CID 167691589
2-[[4-[(2-amino-2-oxoethyl)-[4-[2-[2-(2-isothiocyanatoethoxy)ethoxy]ethylsulfanyl]phenyl]sulfonylamino]naphthalen-1-yl]-(4-methoxyphenyl)sulfonylamino]acetamide
CID 164615618
dipotassium;hydride;methyl 2-bromoacetate;methyl (3S)-3-[(2-chlorophenyl)methyl-[4-[(2-methoxy-2-oxoethyl)-(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]butanoate;methyl (3S)-3-[(2-chlorophenyl)methyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]butanoate;oxido formate
CID 167611625
N-[2-[(2-amino-2-oxoethyl)-(4-methoxyphenyl)sulfonylamino]phenyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 139894958
4-methoxy-N-[4-[(4-methoxyphenyl)sulfonylmethyl]naphthalen-1-yl]benzenesulfonamide
CID 139559717
2-[(1-hydroxynaphthalen-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 174785200
2-[[4-[(2-amino-2-hydroxyethyl)-[4-(2-isothiocyanatoethylsulfanyloxy)phenyl]sulfonylamino]naphthalen-1-yl]-(4-methoxyphenyl)sulfonylamino]acetamide
CID 175359559

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide (CID 177380626) is 2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide is COc1ccc(S(=O)(=O)Nc2ccc(N(CC(N)=O)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide?
The InChIKey is WGYGFQFSIPMBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O7S2/c1-35-18-7-11-20(12-8-18)37(31,32)28-24-15-16-25(23-6-4-3-5-22(23)24)29(17-26(27)30)38(33,34)21-13-9-19(36-2)10-14-21/h3-16,28H,17H2,1-2H3,(H2,27,30).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide?
2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide has a molecular weight of 555.63 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-[4-[(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]amino]acetamide is sourced from PubChem (CID 177380626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).