(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate

C17H15ClN2O4S3 — CID 43033404

IUPAC(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCc1csc(-c2ccsc2)n1
InChIInChI=1S/C17H15ClN2O4S3/c18-13-2-1-3-15(8-13)27(22,23)19-6-4-16(21)24-9-14-11-26-17(20-14)12-5-7-25-10-12/h1-3,5,7-8,10-11,19H,4,6,9H2
InChIKeyAPLCXAYXSVSZTG-UHFFFAOYSA-N
MW442.97 g/mol
LogP3.94
Rot. Bonds8

About (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate

(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate (PubChem CID 43033404) has the molecular formula C17H15ClN2O4S3 and a molecular weight of 442.97 g/mol. Its IUPAC name is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
PubChem CID43033404
Molecular FormulaC17H15ClN2O4S3
Molecular Weight442.97 g/mol
Exact Mass441.99
IUPAC Name(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCc1csc(-c2ccsc2)n1
InChIInChI=1S/C17H15ClN2O4S3/c18-13-2-1-3-15(8-13)27(22,23)19-6-4-16(21)24-9-14-11-26-17(20-14)12-5-7-25-10-12/h1-3,5,7-8,10-11,19H,4,6,9H2
InChIKeyAPLCXAYXSVSZTG-UHFFFAOYSA-N
XLogP3.94
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 46805218
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzenesulfonamido)acetate
CID 4797377
(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982280
(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982279
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 3-(thiophen-2-ylsulfonylamino)propanoate
CID 31276009
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-methylsulfonylbenzoate
CID 18203452
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(3-chlorophenyl)sulfonylamino]acetate
CID 18774958
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035928
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(2-phenylethenylsulfonylamino)propanoate
CID 4797496
3-[(3-chlorophenyl)sulfonylamino]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 56558319
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-(3,4-dimethoxyphenyl)propanoate
CID 8849808
(5-acetyl-2-methoxyphenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035641

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate (CID 43033404) is (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCc1csc(-c2ccsc2)n1.
What is the InChIKey of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is APLCXAYXSVSZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O4S3/c18-13-2-1-3-15(8-13)27(22,23)19-6-4-16(21)24-9-14-11-26-17(20-14)12-5-7-25-10-12/h1-3,5,7-8,10-11,19H,4,6,9H2.
What are the key properties of (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate?
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 442.97 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 43033404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).