2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide

C19H17ClN2O2S2 — CID 22170739

IUPAC2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1cnc(NC(=O)c2ccccc2S(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H17ClN2O2S2/c1-12(2)16-11-21-19(25-16)22-18(23)15-5-3-4-6-17(15)26(24)14-9-7-13(20)8-10-14/h3-12H,1-2H3,(H,21,22,23)
InChIKeyJRLZIDOYIKPJOQ-UHFFFAOYSA-N
MW404.94 g/mol
LogP5.34
Rot. Bonds5

About 2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide

2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 22170739) has the molecular formula C19H17ClN2O2S2 and a molecular weight of 404.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID22170739
Molecular FormulaC19H17ClN2O2S2
Molecular Weight404.94 g/mol
Exact Mass404.04
IUPAC Name2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1cnc(NC(=O)c2ccccc2S(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C19H17ClN2O2S2/c1-12(2)16-11-21-19(25-16)22-18(23)15-5-3-4-6-17(15)26(24)14-9-7-13(20)8-10-14/h3-12H,1-2H3,(H,21,22,23)
InChIKeyJRLZIDOYIKPJOQ-UHFFFAOYSA-N
XLogP5.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.94
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 5329385
4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 1336667
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 2523343
N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 73669508
N-(5-(4-chlorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 726259
N-(5-(3-chlorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 1113641
N-(5-(2-chlorobenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 2447649
N-(5-(4-chlorophenyl)thiazol-2-yl)thiophene-2-carboxamide
CID 44578359
3-chloro-N-(5-cyclobutyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 137639244
N-(5-Isopropyl-thiazol-2-yl)-benzamide
CID 22170855
2-chloro-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 2490376
2-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2673038

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 22170739) is 2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)c1cnc(NC(=O)c2ccccc2S(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is JRLZIDOYIKPJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S2/c1-12(2)16-11-21-19(25-16)22-18(23)15-5-3-4-6-17(15)26(24)14-9-7-13(20)8-10-14/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 404.94 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfinyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 22170739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).