(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide

C21H21N3O3S2 — CID 2318282

IUPAC(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H21N3O3S2/c25-20(23-21-22-18(15-28-21)16-9-3-1-4-10-16)19-13-7-8-14-24(19)29(26,27)17-11-5-2-6-12-17/h1-6,9-12,15,19H,7-8,13-14H2,(H,22,23,25)/t19-/m1/s1
InChIKeyKTEFAYCEBCKRTL-LJQANCHMSA-N
MW427.55 g/mol
LogP3.99
Rot. Bonds5

About (2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide

(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide (PubChem CID 2318282) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is (2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
PubChem CID2318282
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC Name(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H21N3O3S2/c25-20(23-21-22-18(15-28-21)16-9-3-1-4-10-16)19-13-7-8-14-24(19)29(26,27)17-11-5-2-6-12-17/h1-6,9-12,15,19H,7-8,13-14H2,(H,22,23,25)/t19-/m1/s1
InChIKeyKTEFAYCEBCKRTL-LJQANCHMSA-N
XLogP3.99
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 55339409
4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 41073040
(2R)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 124526137
1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827761
(2R)-1-[4-(aminomethyl)phenyl]sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 166554689
(2R)-1-(4-cyanophenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 53488280
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654
1-(4-methylphenyl)sulfonyl-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 16827331
1-(5-chlorothiophen-2-yl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 16826619
1-(benzenesulfonyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-2-carboxamide
CID 46532670
(2R)-1-(2-methoxyphenyl)sulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53347923
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-2-carboxamide
CID 18077763

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide (CID 2318282) is (2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
The InChIKey is KTEFAYCEBCKRTL-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c25-20(23-21-22-18(15-28-21)16-9-3-1-4-10-16)19-13-7-8-14-24(19)29(26,27)17-11-5-2-6-12-17/h1-6,9-12,15,19H,7-8,13-14H2,(H,22,23,25)/t19-/m1/s1.
What are the key properties of (2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide?
(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 2318282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).