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

C17H21N3O4S2 — CID 7740772

IUPAC4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C17H21N3O4S2/c1-12-5-3-4-9-20(12)26(22,23)15-11-13(6-7-14(15)24-2)16(21)19-17-18-8-10-25-17/h6-8,10-12H,3-5,9H2,1-2H3,(H,18,19,21)/t12-/m0/s1
InChIKeyJZIZKEXTSKWBPN-LBPRGKRZSA-N
MW395.51 g/mol
LogP2.97
Rot. Bonds5

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

4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 7740772) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID7740772
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C17H21N3O4S2/c1-12-5-3-4-9-20(12)26(22,23)15-11-13(6-7-14(15)24-2)16(21)19-17-18-8-10-25-17/h6-8,10-12H,3-5,9H2,1-2H3,(H,18,19,21)/t12-/m0/s1
InChIKeyJZIZKEXTSKWBPN-LBPRGKRZSA-N
XLogP2.97
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
4-methoxy-N-(6-methoxy-3-pyridinyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 40647113
N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4794100
4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 1107091
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-quinolin-8-ylbenzamide
CID 41029646
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-N-(6-piperidin-1-yl-3-pyridinyl)benzamide
CID 55496296
N-(2-ethylphenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8839347
N-(2,3-dimethylphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4799810
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 39026226
N-(2-chloro-4-fluorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43009763

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 7740772) is 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCC[C@@H]1C.
What is the InChIKey of 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is JZIZKEXTSKWBPN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-12-5-3-4-9-20(12)26(22,23)15-11-13(6-7-14(15)24-2)16(21)19-17-18-8-10-25-17/h6-8,10-12H,3-5,9H2,1-2H3,(H,18,19,21)/t12-/m0/s1.
What are the key properties of 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide?
4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 395.51 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 7740772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).