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

C17H25NO2S — CID 55452789

IUPACN-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)N(C)C2CCC(C)CC2)s1
InChIInChI=1S/C17H25NO2S/c1-12-4-7-14(8-5-12)18(3)17(20)11-9-15(19)16-10-6-13(2)21-16/h6,10,12,14H,4-5,7-9,11H2,1-3H3
InChIKeyMCISNPIQMAHNHS-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.06
Rot. Bonds5

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

N-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 55452789) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
PubChem CID55452789
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)N(C)C2CCC(C)CC2)s1
InChIInChI=1S/C17H25NO2S/c1-12-4-7-14(8-5-12)18(3)17(20)11-9-15(19)16-10-6-13(2)21-16/h6,10,12,14H,4-5,7-9,11H2,1-3H3
InChIKeyMCISNPIQMAHNHS-UHFFFAOYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18106461
2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43228150
3-chloro-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 43346623
2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid
CID 167843165
N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18108619
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N,5-dimethylthiophene-2-carboxamide
CID 79112494
4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one
CID 11819730
4-amino-1-(5-methylthiophen-2-yl)pentan-1-one
CID 116571604
N-[(4-cyanophenyl)methyl]-N-methyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 39859555
3-(2-aminophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120608242
N-methyl-N-(4-methylcyclohexyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 39952566
2-iodo-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 64786622

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 55452789) is N-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)N(C)C2CCC(C)CC2)s1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The InChIKey is MCISNPIQMAHNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-12-4-7-14(8-5-12)18(3)17(20)11-9-15(19)16-10-6-13(2)21-16/h6,10,12,14H,4-5,7-9,11H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
N-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide has a molecular weight of 307.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 55452789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).