N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide

C21H23N3O3S2 — CID 25405718

IUPACN-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCCCCc1ccc(NC(=O)c2csc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H23N3O3S2/c1-3-4-5-16-8-10-17(11-9-16)22-20(25)19-14-28-21(23-19)24-29(26,27)18-12-6-15(2)7-13-18/h6-14H,3-5H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyCHBJPCMHNKKEHS-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.85
Rot. Bonds8

About N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide

N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (PubChem CID 25405718) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
PubChem CID25405718
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC NameN-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
SMILESCCCCc1ccc(NC(=O)c2csc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H23N3O3S2/c1-3-4-5-16-8-10-17(11-9-16)22-20(25)19-14-28-21(23-19)24-29(26,27)18-12-6-15(2)7-13-18/h6-14H,3-5H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyCHBJPCMHNKKEHS-UHFFFAOYSA-N
XLogP4.85
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405759
N-(3-fluoro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405775
1-(4-butylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 3515825
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
N-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405569
N-(2-methoxy-5-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 25405780
N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2954412
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 25405382
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide
CID 42109107
2-(4-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024050
4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 19683735
4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
CID 2231369

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide (CID 25405718) is N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is CCCCc1ccc(NC(=O)c2csc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is CHBJPCMHNKKEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-3-4-5-16-8-10-17(11-9-16)22-20(25)19-14-28-21(23-19)24-29(26,27)18-12-6-15(2)7-13-18/h6-14H,3-5H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide?
N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25405718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).