2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide

C17H18ClNO4S — CID 42961403

IUPAC2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)S(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO4S/c1-12(17(20)19-15-8-3-4-9-16(15)23-2)24(21,22)11-13-6-5-7-14(18)10-13/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyYQRNMDKVQCXEDR-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.29
Rot. Bonds6

About 2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide

2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide (PubChem CID 42961403) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
PubChem CID42961403
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)S(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO4S/c1-12(17(20)19-15-8-3-4-9-16(15)23-2)24(21,22)11-13-6-5-7-14(18)10-13/h3-10,12H,11H2,1-2H3,(H,19,20)
InChIKeyYQRNMDKVQCXEDR-UHFFFAOYSA-N
XLogP3.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3,4-dichlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 51946841
(2R)-2-[(3-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038324
2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide
CID 78876975
2-[(3-chlorophenyl)methylsulfonyl]-N-propylpropanamide
CID 47155844
(2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide
CID 51933875
1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168567
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 9251272
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 28542771
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
3-amino-N-[2-[(3-chlorophenyl)methoxy]phenyl]-2-methylbutanamide;hydrochloride
CID 120501253
N-(4-chloro-2-fluorophenyl)-2-[(3,4-difluorophenyl)methylsulfonyl]propanamide
CID 126801435
(5-chloro-2-methoxyphenyl)methyl-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9136846

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide (CID 42961403) is 2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)S(=O)(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is YQRNMDKVQCXEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-12(17(20)19-15-8-3-4-9-16(15)23-2)24(21,22)11-13-6-5-7-14(18)10-13/h3-10,12H,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide?
2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 367.85 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylsulfonyl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 42961403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).