N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide

C28H27ClN2O4S — CID 2466260

IUPACN-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide
SMILESCOc1ccc(NC(=O)CCN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc3ccccc3c2)cc1Cl
InChIInChI=1S/C28H27ClN2O4S/c1-19-14-20(2)16-24(15-19)31(13-12-28(32)30-23-9-11-27(35-3)26(29)18-23)36(33,34)25-10-8-21-6-4-5-7-22(21)17-25/h4-11,14-18H,12-13H2,1-3H3,(H,30,32)
InChIKeyWUNKUBSHNAWWDS-UHFFFAOYSA-N
MW523.05 g/mol
LogP6.34
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide

N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide (PubChem CID 2466260) has the molecular formula C28H27ClN2O4S and a molecular weight of 523.05 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide
PubChem CID2466260
Molecular FormulaC28H27ClN2O4S
Molecular Weight523.05 g/mol
Exact Mass522.14
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide
SMILESCOc1ccc(NC(=O)CCN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc3ccccc3c2)cc1Cl
InChIInChI=1S/C28H27ClN2O4S/c1-19-14-20(2)16-24(15-19)31(13-12-28(32)30-23-9-11-27(35-3)26(29)18-23)36(33,34)25-10-8-21-6-4-5-7-22(21)17-25/h4-11,14-18H,12-13H2,1-3H3,(H,30,32)
InChIKeyWUNKUBSHNAWWDS-UHFFFAOYSA-N
XLogP6.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.05
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-naphthalen-2-ylacetamide
CID 1357139
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide
CID 51345227
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113142426
N-(3-chloro-4-methylphenyl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
CID 2521891
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 3885413
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide
CID 1372425
ethyl 2-chloro-5-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetyl]amino]benzoate
CID 99951269
N-(3-chloro-4-methoxyphenyl)-2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1339298
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 3635037
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 51344163
N-(3,4-dichlorophenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1295229
N-(3-chloro-4-methoxyphenyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2280526

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide (CID 2466260) is N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide is COc1ccc(NC(=O)CCN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc3ccccc3c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide?
The InChIKey is WUNKUBSHNAWWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O4S/c1-19-14-20(2)16-24(15-19)31(13-12-28(32)30-23-9-11-27(35-3)26(29)18-23)36(33,34)25-10-8-21-6-4-5-7-22(21)17-25/h4-11,14-18H,12-13H2,1-3H3,(H,30,32).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide?
N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide has a molecular weight of 523.05 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethyl-N-naphthalen-2-ylsulfonylanilino)propanamide is sourced from PubChem (CID 2466260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).