N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

C21H21N3O4S2 — CID 27672714

IUPACN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
InChIInChI=1S/C21H21N3O4S2/c1-14-19(29-21(22-14)15-7-3-2-4-8-15)20(26)23-17-13-16(9-10-18(17)25)30(27,28)24-11-5-6-12-24/h2-4,7-10,13,25H,5-6,11-12H2,1H3,(H,23,26)
InChIKeyFMRACZORWVRMKI-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.86
Rot. Bonds5

About N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 27672714) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID27672714
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
InChIInChI=1S/C21H21N3O4S2/c1-14-19(29-21(22-14)15-7-3-2-4-8-15)20(26)23-17-13-16(9-10-18(17)25)30(27,28)24-11-5-6-12-24/h2-4,7-10,13,25H,5-6,11-12H2,1H3,(H,23,26)
InChIKeyFMRACZORWVRMKI-UHFFFAOYSA-N
XLogP3.86
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 27668000
2-(4-fluorophenyl)-4-methyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-5-carboxamide
CID 27668010
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 56504628
N-(2-hydroxyphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46666287
4-methyl-2-phenyl-N'-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]-1,3-thiazole-5-carbohydrazide
CID 25440191
N-(2-fluoro-5-methylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 27677610
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide
CID 46652299
4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55406198
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
CID 27672633
2-(4-ethylphenyl)-4-methyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,3-thiazole-5-carbohydrazide
CID 27688337
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 30035066
4-methyl-N-phenyl-2-(4-sulfamoylphenyl)-1,3-thiazole-5-carboxamide
CID 60620632

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide (CID 27672714) is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O.
What is the InChIKey of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is FMRACZORWVRMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-14-19(29-21(22-14)15-7-3-2-4-8-15)20(26)23-17-13-16(9-10-18(17)25)30(27,28)24-11-5-6-12-24/h2-4,7-10,13,25H,5-6,11-12H2,1H3,(H,23,26).
What are the key properties of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide?
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 27672714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).