(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate

C20H21N2O5S- — CID 7059174

IUPAC(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate
SMILESO=C(N[C@H](C(=O)[O-])c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H22N2O5S/c23-19(21-18(20(24)25)15-7-3-1-4-8-15)16-9-11-17(12-10-16)28(26,27)22-13-5-2-6-14-22/h1,3-4,7-12,18H,2,5-6,13-14H2,(H,21,23)(H,24,25)/p-1/t18-/m0/s1
InChIKeyBJDSFHNZLPENFW-SFHVURJKSA-M
MW401.46 g/mol
LogP1.08
Rot. Bonds6

About (2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate

(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate (PubChem CID 7059174) has the molecular formula C20H21N2O5S- and a molecular weight of 401.46 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate
PubChem CID7059174
Molecular FormulaC20H21N2O5S-
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate
SMILESO=C(N[C@H](C(=O)[O-])c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H22N2O5S/c23-19(21-18(20(24)25)15-7-3-1-4-8-15)16-9-11-17(12-10-16)28(26,27)22-13-5-2-6-14-22/h1,3-4,7-12,18H,2,5-6,13-14H2,(H,21,23)(H,24,25)/p-1/t18-/m0/s1
InChIKeyBJDSFHNZLPENFW-SFHVURJKSA-M
XLogP1.08
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 55582803
N-[(3-methylphenyl)-phenylmethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 133189694
N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxo-1-phenylethyl]benzamide
CID 42925327
4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31397272
N-[(2S)-2-phenylpropyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9302382
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide
CID 1428605
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18146405
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 7536036

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate?
The IUPAC name of (2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate (CID 7059174) is (2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate.
What is the SMILES notation for (2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate?
The canonical SMILES for (2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate is O=C(N[C@H](C(=O)[O-])c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of (2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate?
The InChIKey is BJDSFHNZLPENFW-SFHVURJKSA-M. The full InChI is InChI=1S/C20H22N2O5S/c23-19(21-18(20(24)25)15-7-3-1-4-8-15)16-9-11-17(12-10-16)28(26,27)22-13-5-2-6-14-22/h1,3-4,7-12,18H,2,5-6,13-14H2,(H,21,23)(H,24,25)/p-1/t18-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate?
(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate has a molecular weight of 401.46 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate is sourced from PubChem (CID 7059174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).