N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide

C20H24N2O2S — CID 46992416

IUPACN-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C20H24N2O2S/c1-13-11-12-25-18(13)20(24)22-17-10-6-9-16(14(17)2)19(23)21-15-7-4-3-5-8-15/h6,9-12,15H,3-5,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYODUWLJCQPHENK-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.68
Rot. Bonds4

About N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide

N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide (PubChem CID 46992416) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
PubChem CID46992416
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1C
InChIInChI=1S/C20H24N2O2S/c1-13-11-12-25-18(13)20(24)22-17-10-6-9-16(14(17)2)19(23)21-15-7-4-3-5-8-15/h6,9-12,15H,3-5,7-8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYODUWLJCQPHENK-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 47114392
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 17415846
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
3-(cyclohexylcarbamothioylamino)-2-methylbenzoic acid
CID 91687016
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid
CID 121005204
N-cyclopentyl-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062446
N-[2-(cyclohexylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 100720174
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide (CID 46992416) is N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1C.
What is the InChIKey of N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is YODUWLJCQPHENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-13-11-12-25-18(13)20(24)22-17-10-6-9-16(14(17)2)19(23)21-15-7-4-3-5-8-15/h6,9-12,15H,3-5,7-8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide?
N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 46992416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).