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

C15H13N3O3S3 — CID 155557473

IUPACN-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3cccs3)c2)cs1
InChIInChI=1S/C15H13N3O3S3/c1-10(19)16-15-17-13(9-23-15)11-4-2-5-12(8-11)18-24(20,21)14-6-3-7-22-14/h2-9,18H,1H3,(H,16,17,19)
InChIKeySOMJXJBYVAYIKC-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.63
Rot. Bonds5

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

N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 155557473) has the molecular formula C15H13N3O3S3 and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID155557473
Molecular FormulaC15H13N3O3S3
Molecular Weight379.49 g/mol
Exact Mass379.01
IUPAC NameN-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3cccs3)c2)cs1
InChIInChI=1S/C15H13N3O3S3/c1-10(19)16-15-17-13(9-23-15)11-4-2-5-12(8-11)18-24(20,21)14-6-3-7-22-14/h2-9,18H,1H3,(H,16,17,19)
InChIKeySOMJXJBYVAYIKC-UHFFFAOYSA-N
XLogP3.63
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108
N-(4-phenyl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23098780
N-[3-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7553601
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 21169675
[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
CID 25044074
4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 55376558
N-[4-[3-[(3-bromophenyl)sulfonylamino]phenyl]-1,3-thiazol-2-yl]carbamoyl iodide
CID 126543438
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 25046956
N-(4-pyridin-3-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 110440548
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2359647
3-(thiophen-2-ylsulfonylamino)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 78897587
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-sulfonamide
CID 122283303

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide (CID 155557473) is N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3cccs3)c2)cs1.
What is the InChIKey of N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SOMJXJBYVAYIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S3/c1-10(19)16-15-17-13(9-23-15)11-4-2-5-12(8-11)18-24(20,21)14-6-3-7-22-14/h2-9,18H,1H3,(H,16,17,19).
What are the key properties of N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 379.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155557473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).