(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide

C18H20Cl2N2O4S — CID 24536404

IUPAC(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCOc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)cc1Cl
InChIInChI=1S/C18H20Cl2N2O4S/c1-11(2)17(22-27(24,25)14-7-4-12(19)5-8-14)18(23)21-13-6-9-16(26-3)15(20)10-13/h4-11,17,22H,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyOSVXEMDUVRJOJE-KRWDZBQOSA-N
MW431.34 g/mol
LogP3.94
Rot. Bonds7

About (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide

(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide (PubChem CID 24536404) has the molecular formula C18H20Cl2N2O4S and a molecular weight of 431.34 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide
PubChem CID24536404
Molecular FormulaC18H20Cl2N2O4S
Molecular Weight431.34 g/mol
Exact Mass430.05
IUPAC Name(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide
SMILESCOc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)cc1Cl
InChIInChI=1S/C18H20Cl2N2O4S/c1-11(2)17(22-27(24,25)14-7-4-12(19)5-8-14)18(23)21-13-6-9-16(26-3)15(20)10-13/h4-11,17,22H,1-3H3,(H,21,23)/t17-/m0/s1
InChIKeyOSVXEMDUVRJOJE-KRWDZBQOSA-N
XLogP3.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.34
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide
CID 126396716
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 124551909
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 2768785
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928285
4-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]-2-methylbenzamide
CID 56527365
2-[(4-chloro-2-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid
CID 43244846
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)propanamide
CID 7318747
tert-butyl N-[2-fluoro-5-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]phenyl]carbamate
CID 55969183
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 7354928

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide?
The IUPAC name of (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide (CID 24536404) is (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide?
The canonical SMILES for (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide is COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)cc1Cl.
What is the InChIKey of (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide?
The InChIKey is OSVXEMDUVRJOJE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20Cl2N2O4S/c1-11(2)17(22-27(24,25)14-7-4-12(19)5-8-14)18(23)21-13-6-9-16(26-3)15(20)10-13/h4-11,17,22H,1-3H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide?
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide has a molecular weight of 431.34 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanamide is sourced from PubChem (CID 24536404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).