3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide

C22H21ClN2O4S — CID 42937533

IUPAC3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CC(NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-29-21-10-6-5-9-19(21)24-22(26)15-20(16-11-13-17(23)14-12-16)25-30(27,28)18-7-3-2-4-8-18/h2-14,20,25H,15H2,1H3,(H,24,26)
InChIKeyYKHLUXKSXIKJBW-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.40
Rot. Bonds8

About 3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide

3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide (PubChem CID 42937533) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide
PubChem CID42937533
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CC(NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21ClN2O4S/c1-29-21-10-6-5-9-19(21)24-22(26)15-20(16-11-13-17(23)14-12-16)25-30(27,28)18-7-3-2-4-8-18/h2-14,20,25H,15H2,1H3,(H,24,26)
InChIKeyYKHLUXKSXIKJBW-UHFFFAOYSA-N
XLogP4.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonamido)-3-(4-chlorophenyl)-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

(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783701
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
CID 133255260
3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 50740235
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
CID 133255245
(3S)-N-(2-ethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784428
3-(4-chlorophenyl)-3-(2-methoxyanilino)-N,N-dimethylpropanamide
CID 10980515
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
CID 5188493
(3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784613
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126394237
(3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784438
3-(2-hydroxyphenyl)-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 4136939

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide (CID 42937533) is 3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CC(NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is YKHLUXKSXIKJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-29-21-10-6-5-9-19(21)24-22(26)15-20(16-11-13-17(23)14-12-16)25-30(27,28)18-7-3-2-4-8-18/h2-14,20,25H,15H2,1H3,(H,24,26).
What are the key properties of 3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide?
3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 444.94 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-3-(4-chlorophenyl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 42937533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).