4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide

C21H26N2O3S — CID 109061005

IUPAC4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)C1
InChIInChI=1S/C21H26N2O3S/c1-17-6-5-15-23(16-17)27(25,26)20-11-9-19(10-12-20)21(24)22-14-13-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,22,24)
InChIKeyQDTIKOGDZCRPBF-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.08
Rot. Bonds6

About 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide

4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide (PubChem CID 109061005) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
PubChem CID109061005
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide
SMILESCC1CCCN(S(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)C1
InChIInChI=1S/C21H26N2O3S/c1-17-6-5-15-23(16-17)27(25,26)20-11-9-19(10-12-20)21(24)22-14-13-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,22,24)
InChIKeyQDTIKOGDZCRPBF-UHFFFAOYSA-N
XLogP3.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
N-(2-phenylethyl)-4-[(3S)-3-(prop-2-enoylamino)piperidin-1-yl]sulfonylbenzamide
CID 89237464
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
4-(3-methylpiperidin-1-yl)sulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 109060909
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
4-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoic acid
CID 1132674
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974
methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 41210171
N-[2-[(3S)-3-methylpiperidin-1-yl]sulfonylethyl]benzamide
CID 7423212
N-(2-phenylethyl)-4-[4-(prop-2-enoylamino)azepan-1-yl]sulfonylbenzamide
CID 89236369
N,N-diethyl-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 78777244

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide (CID 109061005) is 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide is CC1CCCN(S(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)C1.
What is the InChIKey of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide?
The InChIKey is QDTIKOGDZCRPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17-6-5-15-23(16-17)27(25,26)20-11-9-19(10-12-20)21(24)22-14-13-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-16H2,1H3,(H,22,24).
What are the key properties of 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide?
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 109061005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).