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

C21H17N3O3S3 — CID 46492108

IUPACN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3cccc(NS(=O)(=O)c4cccs4)c3)c2)cs1
InChIInChI=1S/C21H17N3O3S3/c1-14-22-19(13-29-14)15-5-2-7-17(11-15)23-21(25)16-6-3-8-18(12-16)24-30(26,27)20-9-4-10-28-20/h2-13,24H,1H3,(H,23,25)
InChIKeyKKPXJQMTZVKPHS-UHFFFAOYSA-N
MW455.59 g/mol
LogP5.23
Rot. Bonds6

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

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 46492108) has the molecular formula C21H17N3O3S3 and a molecular weight of 455.59 g/mol. Its IUPAC name is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID46492108
Molecular FormulaC21H17N3O3S3
Molecular Weight455.59 g/mol
Exact Mass455.04
IUPAC NameN-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3cccc(NS(=O)(=O)c4cccs4)c3)c2)cs1
InChIInChI=1S/C21H17N3O3S3/c1-14-22-19(13-29-14)15-5-2-7-17(11-15)23-21(25)16-6-3-8-18(12-16)24-30(26,27)20-9-4-10-28-20/h2-13,24H,1H3,(H,23,25)
InChIKeyKKPXJQMTZVKPHS-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

3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide
CID 155557473
N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55991234
3-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859281
3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 169412103
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55793963
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
3-(thiophen-2-ylsulfonylamino)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78897587

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide (CID 46492108) is N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide is Cc1nc(-c2cccc(NC(=O)c3cccc(NS(=O)(=O)c4cccs4)c3)c2)cs1.
What is the InChIKey of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is KKPXJQMTZVKPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S3/c1-14-22-19(13-29-14)15-5-2-7-17(11-15)23-21(25)16-6-3-8-18(12-16)24-30(26,27)20-9-4-10-28-20/h2-13,24H,1H3,(H,23,25).
What are the key properties of N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide?
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(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-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 46492108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).