N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide

C21H25N3O3S2 — CID 55905047

IUPACN-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
SMILESCCc1cc(C#N)c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)s1
InChIInChI=1S/C21H25N3O3S2/c1-3-18-13-16(14-22)21(28-18)23-20(25)15-9-11-19(12-10-15)29(26,27)24(2)17-7-5-4-6-8-17/h9-13,17H,3-8H2,1-2H3,(H,23,25)
InChIKeyCTKLQFBUOKGLID-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.39
Rot. Bonds6

About N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide

N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide (PubChem CID 55905047) has the molecular formula C21H25N3O3S2 and a molecular weight of 431.58 g/mol. Its IUPAC name is N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
PubChem CID55905047
Molecular FormulaC21H25N3O3S2
Molecular Weight431.58 g/mol
Exact Mass431.13
IUPAC NameN-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide
SMILESCCc1cc(C#N)c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)s1
InChIInChI=1S/C21H25N3O3S2/c1-3-18-13-16(14-22)21(28-18)23-20(25)15-9-11-19(12-10-15)29(26,27)24(2)17-7-5-4-6-8-17/h9-13,17H,3-8H2,1-2H3,(H,23,25)
InChIKeyCTKLQFBUOKGLID-UHFFFAOYSA-N
XLogP4.39
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanothiophen-2-yl)-4-[cyclopentyl(methyl)sulfamoyl]benzamide
CID 7656091
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-[cyclohexyl(ethyl)sulfamoyl]benzamide
CID 41149342
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
ethyl 2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 43947306
N-(3-cyano-5-ethylthiophen-2-yl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 55905942
4-[cyclohexyl(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55450487
4-[cyclohexyl(methyl)sulfamoyl]-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43978034
3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 17149762
methyl 2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 3623737
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26906898
methyl N-[2-[[4-[cyclopentyl(methyl)sulfamoyl]benzoyl]amino]thiophene-3-carbonyl]carbamate
CID 43947365

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide (CID 55905047) is N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide is CCc1cc(C#N)c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)s1.
What is the InChIKey of N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
The InChIKey is CTKLQFBUOKGLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S2/c1-3-18-13-16(14-22)21(28-18)23-20(25)15-9-11-19(12-10-15)29(26,27)24(2)17-7-5-4-6-8-17/h9-13,17H,3-8H2,1-2H3,(H,23,25).
What are the key properties of N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide?
N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide has a molecular weight of 431.58 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-ethylthiophen-2-yl)-4-[cyclohexyl(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 55905047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).