2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide

C24H28F3N3O5S — CID 3232431

IUPAC2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
SMILESCOc1cccc(CC(NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C24H28F3N3O5S/c1-16(31)28-22(15-17-4-3-5-20(14-17)35-2)23(32)29-19-10-12-30(13-11-19)36(33,34)21-8-6-18(7-9-21)24(25,26)27/h3-9,14,19,22H,10-13,15H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyDYYSHCAHDREJJT-UHFFFAOYSA-N
MW527.57 g/mol
LogP2.73
Rot. Bonds8

About 2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide

2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide (PubChem CID 3232431) has the molecular formula C24H28F3N3O5S and a molecular weight of 527.57 g/mol. Its IUPAC name is 2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
PubChem CID3232431
Molecular FormulaC24H28F3N3O5S
Molecular Weight527.57 g/mol
Exact Mass527.17
IUPAC Name2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide
SMILESCOc1cccc(CC(NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C24H28F3N3O5S/c1-16(31)28-22(15-17-4-3-5-20(14-17)35-2)23(32)29-19-10-12-30(13-11-19)36(33,34)21-8-6-18(7-9-21)24(25,26)27/h3-9,14,19,22H,10-13,15H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyDYYSHCAHDREJJT-UHFFFAOYSA-N
XLogP2.73
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.57
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
CID 6487306
2-acetamido-N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-(2,3-dimethoxyphenyl)propanamide
CID 3231782
(2S)-2-acetamido-N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-(2,4-dimethoxyphenyl)propanamide
CID 93473311
2-acetamido-3-(2,5-dimethoxyphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 3231786
2-acetamido-3-(4-methylphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 3232423
(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
(2S)-2-acetamido-3-(2,3-dimethoxyphenyl)-N-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 98113998
(3-methoxyphenyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 26778551
1-[(2S)-2-acetamido-3-(3-methoxyphenyl)propanoyl]piperidine-4-carboxamide
CID 94676556

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide (CID 3232431) is 2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide is COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1.
What is the InChIKey of 2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
The InChIKey is DYYSHCAHDREJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O5S/c1-16(31)28-22(15-17-4-3-5-20(14-17)35-2)23(32)29-19-10-12-30(13-11-19)36(33,34)21-8-6-18(7-9-21)24(25,26)27/h3-9,14,19,22H,10-13,15H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide?
2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide has a molecular weight of 527.57 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-methoxyphenyl)-N-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]propanamide is sourced from PubChem (CID 3232431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).