4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

C16H20N2O3S2 — CID 30715818

IUPAC4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1csc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)n1
InChIInChI=1S/C16H20N2O3S2/c1-10(2)14-9-22-16(17-14)18-15(19)12-5-7-13(8-6-12)23(20,21)11(3)4/h5-11H,1-4H3,(H,17,18,19)
InChIKeySAEUUIFZJQRGIQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.70
Rot. Bonds5

About 4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 30715818) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID30715818
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC Name4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1csc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)n1
InChIInChI=1S/C16H20N2O3S2/c1-10(2)14-9-22-16(17-14)18-15(19)12-5-7-13(8-6-12)23(20,21)11(3)4/h5-11H,1-4H3,(H,17,18,19)
InChIKeySAEUUIFZJQRGIQ-UHFFFAOYSA-N
XLogP3.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxyphenyl)sulfamoyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 24575372
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylsulfonylbenzamide
CID 16804295
3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479829
3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 63213843
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 46674238
2-oxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-dihydroindole-6-carboxamide
CID 102712241
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylsulfonylbenzamide
CID 47048130
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993057
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
N-[2-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-4-phenylbenzamide
CID 37019362
5-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 60721950

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 30715818) is 4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)c1csc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)n1.
What is the InChIKey of 4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is SAEUUIFZJQRGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-10(2)14-9-22-16(17-14)18-15(19)12-5-7-13(8-6-12)23(20,21)11(3)4/h5-11H,1-4H3,(H,17,18,19).
What are the key properties of 4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 30715818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).