2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide

C17H24ClN3O4S — CID 3227068

IUPAC2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
SMILESCC(=O)NC(Cc1ccccc1Cl)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C17H24ClN3O4S/c1-12(22)19-16(11-13-5-3-4-6-15(13)18)17(23)20-14-7-9-21(10-8-14)26(2,24)25/h3-6,14,16H,7-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySFKCMZYOKLIOJM-UHFFFAOYSA-N
MW401.92 g/mol
LogP0.93
Rot. Bonds6

About 2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide

2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide (PubChem CID 3227068) has the molecular formula C17H24ClN3O4S and a molecular weight of 401.92 g/mol. Its IUPAC name is 2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
PubChem CID3227068
Molecular FormulaC17H24ClN3O4S
Molecular Weight401.92 g/mol
Exact Mass401.12
IUPAC Name2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
SMILESCC(=O)NC(Cc1ccccc1Cl)C(=O)NC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C17H24ClN3O4S/c1-12(22)19-16(11-13-5-3-4-6-15(13)18)17(23)20-14-7-9-21(10-8-14)26(2,24)25/h3-6,14,16H,7-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeySFKCMZYOKLIOJM-UHFFFAOYSA-N
XLogP0.93
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)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

2-acetamido-3-(2-chlorophenyl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 43816872
2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
CID 6487306
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
methyl 2-[4-[[2-acetamido-3-(2,3-dimethoxyphenyl)propanoyl]amino]piperidin-1-yl]sulfonylbenzoate
CID 3231798
(2S)-2-acetamido-3-(2,3-dimethoxyphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 98113998
(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 93473313
(2R)-2-acetamido-3-(3,4-difluorophenyl)-N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
CID 98114005
2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 3232423
1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol
CID 60908981
2-acetamido-N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 3231782
(2S)-2-acetamido-3-(3-methoxyphenyl)-N-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)propanamide
CID 40783703
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43628772

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of 2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide (CID 3227068) is 2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide is CC(=O)NC(Cc1ccccc1Cl)C(=O)NC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is SFKCMZYOKLIOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O4S/c1-12(22)19-16(11-13-5-3-4-6-15(13)18)17(23)20-14-7-9-21(10-8-14)26(2,24)25/h3-6,14,16H,7-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide?
2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 401.92 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 3227068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).