4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C22H23N3O3S2 — CID 41073040

IUPAC4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H23N3O3S2/c1-16-7-5-6-14-25(16)30(27,28)19-12-10-18(11-13-19)21(26)24-22-23-20(15-29-22)17-8-3-2-4-9-17/h2-4,8-13,15-16H,5-7,14H2,1H3,(H,23,24,26)/t16-/m1/s1
InChIKeyDEUGMTQAEDGVLM-MRXNPFEDSA-N
MW441.58 g/mol
LogP4.63
Rot. Bonds5

About 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 41073040) has the molecular formula C22H23N3O3S2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID41073040
Molecular FormulaC22H23N3O3S2
Molecular Weight441.58 g/mol
Exact Mass441.12
IUPAC Name4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H23N3O3S2/c1-16-7-5-6-14-25(16)30(27,28)19-12-10-18(11-13-19)21(26)24-22-23-20(15-29-22)17-8-3-2-4-9-17/h2-4,8-13,15-16H,5-7,14H2,1H3,(H,23,24,26)/t16-/m1/s1
InChIKeyDEUGMTQAEDGVLM-MRXNPFEDSA-N
XLogP4.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 41073077
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4080052
4-(2-methylpiperidin-1-yl)sulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4198033
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4205185
N-[4-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]butanamide
CID 118362933
(2R)-1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 2318282
N-(1,3-benzothiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40616224
4-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 92693382
4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide
CID 112789629
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 41073044
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41066616
1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55952012

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 41073040) is 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is DEUGMTQAEDGVLM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N3O3S2/c1-16-7-5-6-14-25(16)30(27,28)19-12-10-18(11-13-19)21(26)24-22-23-20(15-29-22)17-8-3-2-4-9-17/h2-4,8-13,15-16H,5-7,14H2,1H3,(H,23,24,26)/t16-/m1/s1.
What are the key properties of 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 441.58 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 41073040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).