N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide

C16H17N3O3S2 — CID 17444399

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide
SMILESCc1sc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C#N)c1C
InChIInChI=1S/C16H17N3O3S2/c1-10-11(2)23-16(14(10)9-17)18-15(20)12-6-5-7-13(8-12)24(21,22)19(3)4/h5-8H,1-4H3,(H,18,20)
InChIKeyAZZUTXACWYLFAN-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.74
Rot. Bonds4

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide (PubChem CID 17444399) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide
PubChem CID17444399
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide
SMILESCc1sc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C#N)c1C
InChIInChI=1S/C16H17N3O3S2/c1-10-11(2)23-16(14(10)9-17)18-15(20)12-6-5-7-13(8-12)24(21,22)19(3)4/h5-8H,1-4H3,(H,18,20)
InChIKeyAZZUTXACWYLFAN-UHFFFAOYSA-N
XLogP2.74
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-nitrobenzamide
CID 4179547
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide
CID 2970676
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,5-dimethylbenzamide
CID 969407
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 55336598
2-chloro-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]benzamide
CID 34589296
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3H-benzimidazole-5-carboxamide
CID 60630447
3-amino-4-bromo-N-(3-cyano-4,5-dimethylthiophen-2-yl)benzamide
CID 61112822
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3,4-diethoxybenzamide
CID 43981375
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
2,4-dichloro-N-[3-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]phenyl]benzamide
CID 34589319
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1H-indazole-6-carboxamide
CID 62905439
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 7287148

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide (CID 17444399) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide is Cc1sc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C#N)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide?
The InChIKey is AZZUTXACWYLFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-10-11(2)23-16(14(10)9-17)18-15(20)12-6-5-7-13(8-12)24(21,22)19(3)4/h5-8H,1-4H3,(H,18,20).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-(dimethylsulfamoyl)benzamide has a molecular weight of 363.46 g/mol, XLogP of 2.74, 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)-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 17444399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).