1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide

C22H27N3O4S — CID 45374478

IUPAC1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O4S/c23-22(27)19-12-14-24(15-13-19)21(26)17-25(16-11-18-7-3-1-4-8-18)30(28,29)20-9-5-2-6-10-20/h1-10,19H,11-17H2,(H2,23,27)
InChIKeyHNTVEJIOXXRFFY-UHFFFAOYSA-N
MW429.54 g/mol
LogP1.64
Rot. Bonds8

About 1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide

1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide (PubChem CID 45374478) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide
PubChem CID45374478
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H27N3O4S/c23-22(27)19-12-14-24(15-13-19)21(26)17-25(16-11-18-7-3-1-4-8-18)30(28,29)20-9-5-2-6-10-20/h1-10,19H,11-17H2,(H2,23,27)
InChIKeyHNTVEJIOXXRFFY-UHFFFAOYSA-N
XLogP1.64
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 45374408
1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
CID 126014254
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 1208474
1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
CID 126014237
N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylethyl)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 146058640
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide
CID 3354978
1-[2-[(4-chlorophenyl)sulfonyl-ethylamino]acetyl]piperidine-4-carboxamide
CID 2982052
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
1-[2-(benzenesulfonyl)acetyl]piperidine-4-carboxamide
CID 17312294
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-chloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 126394267
1-[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]piperidine-4-carboxamide
CID 2930245
N-[2-(azepan-1-yl)-2-oxoethyl]-3-chloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 126395875

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide (CID 45374478) is 1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide?
The InChIKey is HNTVEJIOXXRFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c23-22(27)19-12-14-24(15-13-19)21(26)17-25(16-11-18-7-3-1-4-8-18)30(28,29)20-9-5-2-6-10-20/h1-10,19H,11-17H2,(H2,23,27).
What are the key properties of 1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide?
1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 45374478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).