N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide

C16H23NO2S — CID 18106461

IUPACN-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC2CCC(C)CC2)s1
InChIInChI=1S/C16H23NO2S/c1-11-3-6-13(7-4-11)17-16(19)10-8-14(18)15-9-5-12(2)20-15/h5,9,11,13H,3-4,6-8,10H2,1-2H3,(H,17,19)
InChIKeyDBLJBAPKEZARAY-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.71
Rot. Bonds5

About N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide

N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 18106461) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
PubChem CID18106461
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC2CCC(C)CC2)s1
InChIInChI=1S/C16H23NO2S/c1-11-3-6-13(7-4-11)17-16(19)10-8-14(18)15-9-5-12(2)20-15/h5,9,11,13H,3-4,6-8,10H2,1-2H3,(H,17,19)
InChIKeyDBLJBAPKEZARAY-UHFFFAOYSA-N
XLogP3.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18108619
2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid
CID 167843165
5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 114549809
[2-(cycloheptylamino)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 7523920
N-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 55452789
N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 25276476
2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43228150
3-hydroxy-N-(4-methylcyclohexyl)propanamide
CID 90305092
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
5-(5-methylthiophen-2-yl)-5-oxopentanoic acid
CID 2760078
6-(5-methylthiophen-2-yl)-6-oxohexanoic acid
CID 43446803
N-(4-methylcyclohexyl)-2-(4-sulfanylphenyl)acetamide
CID 107021542

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 18106461) is N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NC2CCC(C)CC2)s1.
What is the InChIKey of N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The InChIKey is DBLJBAPKEZARAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-11-3-6-13(7-4-11)17-16(19)10-8-14(18)15-9-5-12(2)20-15/h5,9,11,13H,3-4,6-8,10H2,1-2H3,(H,17,19).
What are the key properties of N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide has a molecular weight of 293.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 18106461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).