2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide

C19H17ClN2O3S2 — CID 58198475

IUPAC2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1ncc(-c2ccccc2)s1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O3S2/c1-19(2,27(24,25)15-10-8-14(20)9-11-15)17(23)22-18-21-12-16(26-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23)
InChIKeyVAGKMHOALHGCAP-UHFFFAOYSA-N
MW420.94 g/mol
LogP4.65
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide

2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 58198475) has the molecular formula C19H17ClN2O3S2 and a molecular weight of 420.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID58198475
Molecular FormulaC19H17ClN2O3S2
Molecular Weight420.94 g/mol
Exact Mass420.04
IUPAC Name2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1ncc(-c2ccccc2)s1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN2O3S2/c1-19(2,27(24,25)15-10-8-14(20)9-11-15)17(23)22-18-21-12-16(26-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23)
InChIKeyVAGKMHOALHGCAP-UHFFFAOYSA-N
XLogP4.65
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide (CID 58198475) is 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide is CC(C)(C(=O)Nc1ncc(-c2ccccc2)s1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is VAGKMHOALHGCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S2/c1-19(2,27(24,25)15-10-8-14(20)9-11-15)17(23)22-18-21-12-16(26-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide?
2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 420.94 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 58198475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).