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

C15H21NO2S — CID 18108619

IUPACN-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C15H21NO2S/c1-11-7-9-14(19-11)13(17)8-10-15(18)16-12-5-3-2-4-6-12/h7,9,12H,2-6,8,10H2,1H3,(H,16,18)
InChIKeyZGMSXIFUNNICSR-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.47
Rot. Bonds5

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

N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide (PubChem CID 18108619) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
PubChem CID18108619
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC NameN-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC2CCCCC2)s1
InChIInChI=1S/C15H21NO2S/c1-11-7-9-14(19-11)13(17)8-10-15(18)16-12-5-3-2-4-6-12/h7,9,12H,2-6,8,10H2,1H3,(H,16,18)
InChIKeyZGMSXIFUNNICSR-UHFFFAOYSA-N
XLogP3.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18106461
[2-(cycloheptylamino)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 7523920
2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]cyclopentane-1-carboxylic acid
CID 167843165
N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 7478580
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-N-prop-2-enylthiophene-2-carboxamide
CID 1442233
[2-(cyclooctylamino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4271051
N-[4-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]amino]phenyl]cyclopropanecarboxamide
CID 25276476
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 1433196
N-cycloheptyl-2-[1-(5-methylthiophen-2-yl)ethylamino]acetamide
CID 62574010
2-cyclohexylsulfonyl-1-(5-methylthiophen-2-yl)ethanone
CID 64635420
4-(5-methylthiophen-2-yl)-4-oxo-N-(2-piperidin-1-ylphenyl)butanamide
CID 39759961

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide (CID 18108619) is N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NC2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
The InChIKey is ZGMSXIFUNNICSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-7-9-14(19-11)13(17)8-10-15(18)16-12-5-3-2-4-6-12/h7,9,12H,2-6,8,10H2,1H3,(H,16,18).
What are the key properties of N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide?
N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide has a molecular weight of 279.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 18108619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).