N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide

C21H17N3O3S3 — CID 2359647

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3cccs3)n2)cc1
InChIInChI=1S/C21H17N3O3S3/c1-14-8-10-15(11-9-14)18-13-29-21(22-18)23-20(25)16-5-2-3-6-17(16)24-30(26,27)19-7-4-12-28-19/h2-13,24H,1H3,(H,22,23,25)
InChIKeyQAZLMVOXBQQSTB-UHFFFAOYSA-N
MW455.59 g/mol
LogP5.23
Rot. Bonds6

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 2359647) has the molecular formula C21H17N3O3S3 and a molecular weight of 455.59 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID2359647
Molecular FormulaC21H17N3O3S3
Molecular Weight455.59 g/mol
Exact Mass455.04
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3cccs3)n2)cc1
InChIInChI=1S/C21H17N3O3S3/c1-14-8-10-15(11-9-14)18-13-29-21(22-18)23-20(25)16-5-2-3-6-17(16)24-30(26,27)19-7-4-12-28-19/h2-13,24H,1H3,(H,22,23,25)
InChIKeyQAZLMVOXBQQSTB-UHFFFAOYSA-N
XLogP5.23
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.59
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041309
5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 70789526
[(2S)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 98408518
3-[(4-methylphenyl)sulfonylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 70789554
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 25046956
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156853
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 56930773
2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 71768251
N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide
CID 155557473
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 25038247

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide (CID 2359647) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide is Cc1ccc(-c2csc(NC(=O)c3ccccc3NS(=O)(=O)c3cccs3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is QAZLMVOXBQQSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S3/c1-14-8-10-15(11-9-14)18-13-29-21(22-18)23-20(25)16-5-2-3-6-17(16)24-30(26,27)19-7-4-12-28-19/h2-13,24H,1H3,(H,22,23,25).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 455.59 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 2359647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).