N-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C16H23NOS — CID 112817142

IUPACN-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCCC1CCC(NC(=O)c2cc3c(s2)CCC3)CC1
InChIInChI=1S/C16H23NOS/c1-2-11-6-8-13(9-7-11)17-16(18)15-10-12-4-3-5-14(12)19-15/h10-11,13H,2-9H2,1H3,(H,17,18)
InChIKeyRMEGNZMHNAQKMP-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.94
Rot. Bonds3

About N-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 112817142) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID112817142
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESCCC1CCC(NC(=O)c2cc3c(s2)CCC3)CC1
InChIInChI=1S/C16H23NOS/c1-2-11-6-8-13(9-7-11)17-16(18)15-10-12-4-3-5-14(12)19-15/h10-11,13H,2-9H2,1H3,(H,17,18)
InChIKeyRMEGNZMHNAQKMP-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
N-(1-ethylsulfonylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 31835472
N-(4-oxocyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43652917
N-(3-aminocyclobutyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 43595018
N-(3,3-dimethylcyclopentyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 115881776
3-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66031724
N-ethyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 39903793
N-(2,6-dimethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 112817285
N-(3,3-dimethylcyclopentyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 114550474
cis-(1R,3S)-3-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 120678419
N-[(1R,2R)-2-methylcyclohexyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9272819
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 56568813

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 112817142) is N-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is CCC1CCC(NC(=O)c2cc3c(s2)CCC3)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is RMEGNZMHNAQKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-2-11-6-8-13(9-7-11)17-16(18)15-10-12-4-3-5-14(12)19-15/h10-11,13H,2-9H2,1H3,(H,17,18).
What are the key properties of N-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 277.43 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 112817142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).