3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

C26H33N3O4S — CID 15996952

IUPAC3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1
InChIInChI=1S/C26H33N3O4S/c1-20-13-17-28(18-14-20)26(31)23-11-4-5-12-24(23)27-25(30)21-9-8-10-22(19-21)34(32,33)29-15-6-2-3-7-16-29/h4-5,8-12,19-20H,2-3,6-7,13-18H2,1H3,(H,27,30)
InChIKeyUEEAXDOYOAWPPV-UHFFFAOYSA-N
MW483.63 g/mol
LogP4.38
Rot. Bonds5

About 3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide

3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (PubChem CID 15996952) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
PubChem CID15996952
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1
InChIInChI=1S/C26H33N3O4S/c1-20-13-17-28(18-14-20)26(31)23-11-4-5-12-24(23)27-25(30)21-9-8-10-22(19-21)34(32,33)29-15-6-2-3-7-16-29/h4-5,8-12,19-20H,2-3,6-7,13-18H2,1H3,(H,27,30)
InChIKeyUEEAXDOYOAWPPV-UHFFFAOYSA-N
XLogP4.38
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[[3-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]benzamide
CID 3241862
2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 4094310
N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 3266532
2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 28591285
2-methoxy-5-(4-methylpiperidin-1-yl)sulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28591252
N-[2-(azepane-1-carbonyl)phenyl]-3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]benzamide
CID 43925510
N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 7688667
N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688908
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
N-[2-(azocane-1-carbonyl)phenyl]-3-methylbenzamide
CID 99140359

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide (CID 15996952) is 3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is CC1CCN(C(=O)c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1.
What is the InChIKey of 3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is UEEAXDOYOAWPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-20-13-17-28(18-14-20)26(31)23-11-4-5-12-24(23)27-25(30)21-9-8-10-22(19-21)34(32,33)29-15-6-2-3-7-16-29/h4-5,8-12,19-20H,2-3,6-7,13-18H2,1H3,(H,27,30).
What are the key properties of 3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide?
3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 483.63 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylsulfonyl)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 15996952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).