N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide

C17H18N2O3S2 — CID 75403159

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide
SMILESCc1sc(NC(=O)c2ccccc2S(=O)(=O)C(C)C)c(C#N)c1C
InChIInChI=1S/C17H18N2O3S2/c1-10(2)24(21,22)15-8-6-5-7-13(15)16(20)19-17-14(9-18)11(3)12(4)23-17/h5-8,10H,1-4H3,(H,19,20)
InChIKeyNLPRWTAEKVROJS-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.67
Rot. Bonds4

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide (PubChem CID 75403159) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide
PubChem CID75403159
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide
SMILESCc1sc(NC(=O)c2ccccc2S(=O)(=O)C(C)C)c(C#N)c1C
InChIInChI=1S/C17H18N2O3S2/c1-10(2)24(21,22)15-8-6-5-7-13(15)16(20)19-17-14(9-18)11(3)12(4)23-17/h5-8,10H,1-4H3,(H,19,20)
InChIKeyNLPRWTAEKVROJS-UHFFFAOYSA-N
XLogP3.67
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indole-3-carboxamide
CID 43981400
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CID 34589296
5-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-fluorobenzamide
CID 18089620
N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-fluoro-2-methylbenzamide
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CID 969407
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 7287148
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 5199121
2-amino-N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-phenylacetamide
CID 61252850
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 1246228
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide
CID 17444399
N-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamothioyl]benzamide
CID 899430
(2S)-2-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide
CID 42352885

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide (CID 75403159) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide is Cc1sc(NC(=O)c2ccccc2S(=O)(=O)C(C)C)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide?
The InChIKey is NLPRWTAEKVROJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-10(2)24(21,22)15-8-6-5-7-13(15)16(20)19-17-14(9-18)11(3)12(4)23-17/h5-8,10H,1-4H3,(H,19,20).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide has a molecular weight of 362.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 75403159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).