N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide

C18H20ClN3O4S — CID 133255322

IUPACN-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(NS(C)(=O)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-12(23)20-15-7-9-16(10-8-15)21-18(24)11-17(22-27(2,25)26)13-3-5-14(19)6-4-13/h3-10,17,22H,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyUVTBBWQQAZQNGL-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.92
Rot. Bonds7

About N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide

N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide (PubChem CID 133255322) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
PubChem CID133255322
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC NameN-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CC(NS(C)(=O)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H20ClN3O4S/c1-12(23)20-15-7-9-16(10-8-15)21-18(24)11-17(22-27(2,25)26)13-3-5-14(19)6-4-13/h3-10,17,22H,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyUVTBBWQQAZQNGL-UHFFFAOYSA-N
XLogP2.92
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
CID 133255245
(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783706
ethyl 2-[4-[[(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanoyl]amino]phenyl]acetate
CID 100783481
(3S)-N-(3-bromophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783711
(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 100783011
(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783701
N-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 133255165
(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783730
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
CID 133255260
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide
CID 133255263

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide (CID 133255322) is N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide is CC(=O)Nc1ccc(NC(=O)CC(NS(C)(=O)=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The InChIKey is UVTBBWQQAZQNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-12(23)20-15-7-9-16(10-8-15)21-18(24)11-17(22-27(2,25)26)13-3-5-14(19)6-4-13/h3-10,17,22H,11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide has a molecular weight of 409.90 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 133255322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).