4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide

C25H26N2O3S — CID 112789629

IUPAC4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-19-9-7-8-18-27(19)31(29,30)22-16-14-21(15-17-22)25(28)26-24-13-6-5-12-23(24)20-10-3-2-4-11-20/h2-6,10-17,19H,7-9,18H2,1H3,(H,26,28)
InChIKeyZVNYKXRYNSTFED-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.17
Rot. Bonds5

About 4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide

4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide (PubChem CID 112789629) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide
PubChem CID112789629
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C25H26N2O3S/c1-19-9-7-8-18-27(19)31(29,30)22-16-14-21(15-17-22)25(28)26-24-13-6-5-12-23(24)20-10-3-2-4-11-20/h2-6,10-17,19H,7-9,18H2,1H3,(H,26,28)
InChIKeyZVNYKXRYNSTFED-UHFFFAOYSA-N
XLogP5.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 999491
4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 41073040
4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
CID 3267062
N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8780251
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
N-(3-acetylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9095769
N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
1-[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]cyclopropane-1-carboxylic acid
CID 97337411
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
N-(1,3-benzothiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40616224
N-(2-benzylpyrazol-3-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55359546
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2155664

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide?
The IUPAC name of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide (CID 112789629) is 4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide.
What is the SMILES notation for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide?
The canonical SMILES for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide?
The InChIKey is ZVNYKXRYNSTFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c1-19-9-7-8-18-27(19)31(29,30)22-16-14-21(15-17-22)25(28)26-24-13-6-5-12-23(24)20-10-3-2-4-11-20/h2-6,10-17,19H,7-9,18H2,1H3,(H,26,28).
What are the key properties of 4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide?
4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide has a molecular weight of 434.56 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide is sourced from PubChem (CID 112789629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).