N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide

C17H25NO2S — CID 7478580

IUPACN-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)NC2CCCCCC2)c(C)s1
InChIInChI=1S/C17H25NO2S/c1-12-11-15(13(2)21-12)16(19)9-10-17(20)18-14-7-5-3-4-6-8-14/h11,14H,3-10H2,1-2H3,(H,18,20)
InChIKeyCYFDEZWMMLCROZ-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.17
Rot. Bonds5

About N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide

N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide (PubChem CID 7478580) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
PubChem CID7478580
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC NameN-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)NC2CCCCCC2)c(C)s1
InChIInChI=1S/C17H25NO2S/c1-12-11-15(13(2)21-12)16(19)9-10-17(20)18-14-7-5-3-4-6-8-14/h11,14H,3-10H2,1-2H3,(H,18,20)
InChIKeyCYFDEZWMMLCROZ-UHFFFAOYSA-N
XLogP4.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate
CID 7400150
N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18108619
4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride
CID 120573740
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
4-(2,5-dimethylthiophen-3-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-oxobutanamide
CID 55440802
N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 97003504
1-(azepan-1-yl)-4-(2,5-dimethylthiophen-3-yl)butane-1,4-dione
CID 78782624
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 8878392
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
4-(2,5-dimethylthiophen-3-yl)-N-(2-hydroxyphenyl)-4-oxobutanamide
CID 24535621
4-(2,5-dimethylthiophen-3-yl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9416232
N-cyclooctylbutanamide
CID 4614062

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The IUPAC name of N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide (CID 7478580) is N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide.
What is the SMILES notation for N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The canonical SMILES for N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is Cc1cc(C(=O)CCC(=O)NC2CCCCCC2)c(C)s1.
What is the InChIKey of N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The InChIKey is CYFDEZWMMLCROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-12-11-15(13(2)21-12)16(19)9-10-17(20)18-14-7-5-3-4-6-8-14/h11,14H,3-10H2,1-2H3,(H,18,20).
What are the key properties of N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide has a molecular weight of 307.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is sourced from PubChem (CID 7478580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).