N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide

C18H21ClN2O4S — CID 9474134

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-12(2)10-18(22)20-15-8-9-16(25-3)17(11-15)26(23,24)21-14-6-4-13(19)5-7-14/h4-9,11-12,21H,10H2,1-3H3,(H,20,22)
InChIKeySPVADIXMOSCTRX-UHFFFAOYSA-N
MW396.90 g/mol
LogP4.13
Rot. Bonds7

About N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide (PubChem CID 9474134) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide
PubChem CID9474134
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide
SMILESCOc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-12(2)10-18(22)20-15-8-9-16(25-3)17(11-15)26(23,24)21-14-6-4-13(19)5-7-14/h4-9,11-12,21H,10H2,1-3H3,(H,20,22)
InChIKeySPVADIXMOSCTRX-UHFFFAOYSA-N
XLogP4.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9322651
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 4848572
N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
4-bromo-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]benzamide
CID 34081382
5-chloro-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]thiophene-2-carboxamide
CID 34081958
N-[3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 26952518
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 4796152
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 3938486
N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]butanamide
CID 30877312
N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-methylsulfanylacetamide
CID 4788054
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34082048

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide (CID 9474134) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide is COc1ccc(NC(=O)CC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide?
The InChIKey is SPVADIXMOSCTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-12(2)10-18(22)20-15-8-9-16(25-3)17(11-15)26(23,24)21-14-6-4-13(19)5-7-14/h4-9,11-12,21H,10H2,1-3H3,(H,20,22).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide has a molecular weight of 396.90 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-methylbutanamide is sourced from PubChem (CID 9474134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).