2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide

C16H14ClN3O3S3 — CID 18571918

IUPAC2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NCc1cccs1
InChIInChI=1S/C16H14ClN3O3S3/c17-11-3-5-14(6-4-11)26(22,23)20-16-19-12(10-25-16)8-15(21)18-9-13-2-1-7-24-13/h1-7,10H,8-9H2,(H,18,21)(H,19,20)
InChIKeyCQVPFTJLCFFOGW-UHFFFAOYSA-N
MW427.96 g/mol
LogP3.52
Rot. Bonds7

About 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 18571918) has the molecular formula C16H14ClN3O3S3 and a molecular weight of 427.96 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID18571918
Molecular FormulaC16H14ClN3O3S3
Molecular Weight427.96 g/mol
Exact Mass426.99
IUPAC Name2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NCc1cccs1
InChIInChI=1S/C16H14ClN3O3S3/c17-11-3-5-14(6-4-11)26(22,23)20-16-19-12(10-25-16)8-15(21)18-9-13-2-1-7-24-13/h1-7,10H,8-9H2,(H,18,21)(H,19,20)
InChIKeyCQVPFTJLCFFOGW-UHFFFAOYSA-N
XLogP3.52
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.96
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 18571924
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
methyl N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]carbamate
CID 16883763
ethyl 2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]acetate
CID 108802089
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108810942
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(thiophen-2-ylmethyl)acetamide
CID 35009367
11-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]undecanoic acid
CID 108789111
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 11223125
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(3,4-dichlorophenyl)acetamide
CID 41231527
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 108789115
2-[[2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]acetyl]amino]butanedioic acid
CID 108789088
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 16802205

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 18571918) is 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NCc1cccs1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CQVPFTJLCFFOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S3/c17-11-3-5-14(6-4-11)26(22,23)20-16-19-12(10-25-16)8-15(21)18-9-13-2-1-7-24-13/h1-7,10H,8-9H2,(H,18,21)(H,19,20).
What are the key properties of 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 427.96 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 18571918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).