2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide

C23H29N3O4S — CID 6487306

IUPAC2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
SMILESCC(=O)NC(Cc1cccc(C)c1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O4S/c1-17-7-6-8-19(15-17)16-22(24-18(2)27)23(28)25-20-11-13-26(14-12-20)31(29,30)21-9-4-3-5-10-21/h3-10,15,20,22H,11-14,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyIQGLNTKGXKYJNY-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.01
Rot. Bonds7

About 2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide

2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide (PubChem CID 6487306) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
PubChem CID6487306
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
SMILESCC(=O)NC(Cc1cccc(C)c1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H29N3O4S/c1-17-7-6-8-19(15-17)16-22(24-18(2)27)23(28)25-20-11-13-26(14-12-20)31(29,30)21-9-4-3-5-10-21/h3-10,15,20,22H,11-14,16H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyIQGLNTKGXKYJNY-UHFFFAOYSA-N
XLogP2.01
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 3232423
2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
CID 3232431
(2S)-2-acetamido-3-(3-methoxyphenyl)-N-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)propanamide
CID 40783703
2-acetamido-N-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
CID 155901689
2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 3227068
2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
CID 3232497
(2R)-2-acetamido-3-(3,4-difluorophenyl)-N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
CID 98114005
(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 93473313
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
CID 119123184
(2S)-2-acetamido-3-(2,3-dimethoxyphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 98113998
(2S)-2-acetamido-3-(3-methylphenyl)-N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]propanamide
CID 7451750
2-acetamido-N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 3231782

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide (CID 6487306) is 2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide is CC(=O)NC(Cc1cccc(C)c1)C(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide?
The InChIKey is IQGLNTKGXKYJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-17-7-6-8-19(15-17)16-22(24-18(2)27)23(28)25-20-11-13-26(14-12-20)31(29,30)21-9-4-3-5-10-21/h3-10,15,20,22H,11-14,16H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide?
2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide has a molecular weight of 443.57 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 6487306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).