2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide

C27H31N3O4S — CID 3232423

IUPAC2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
SMILESCC(=O)NC(Cc1ccc(C)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C27H31N3O4S/c1-19-7-9-21(10-8-19)17-26(28-20(2)31)27(32)29-24-13-15-30(16-14-24)35(33,34)25-12-11-22-5-3-4-6-23(22)18-25/h3-12,18,24,26H,13-17H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyMHHYLMLXJYCRBV-UHFFFAOYSA-N
MW493.63 g/mol
LogP3.16
Rot. Bonds7

About 2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide

2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide (PubChem CID 3232423) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is 2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
PubChem CID3232423
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
SMILESCC(=O)NC(Cc1ccc(C)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C27H31N3O4S/c1-19-7-9-21(10-8-19)17-26(28-20(2)31)27(32)29-24-13-15-30(16-14-24)35(33,34)25-12-11-22-5-3-4-6-23(22)18-25/h3-12,18,24,26H,13-17H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyMHHYLMLXJYCRBV-UHFFFAOYSA-N
XLogP3.16
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(2,5-dimethoxyphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 3231786
(2S)-2-acetamido-3-(2,3-dimethoxyphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 98113998
2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
CID 6487306
2-acetamido-3-(4-fluorophenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
CID 3232497
(2S)-2-acetamido-3-(3-methoxyphenyl)-N-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)propanamide
CID 40783703
2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
CID 3232431
(2R)-2-acetamido-3-(3,4-difluorophenyl)-N-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
CID 98114005
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 3227068
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143238
(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide
CID 93473311
4-methyl-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 49460558

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide?
The IUPAC name of 2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide (CID 3232423) is 2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide is CC(=O)NC(Cc1ccc(C)cc1)C(=O)NC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide?
The InChIKey is MHHYLMLXJYCRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-19-7-9-21(10-8-19)17-26(28-20(2)31)27(32)29-24-13-15-30(16-14-24)35(33,34)25-12-11-22-5-3-4-6-23(22)18-25/h3-12,18,24,26H,13-17H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide?
2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide has a molecular weight of 493.63 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide is sourced from PubChem (CID 3232423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).