N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide

C14H21NO2S — CID 111426339

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(O)C2CCCC2)sc1C
InChIInChI=1S/C14H21NO2S/c1-9-7-13(18-10(9)2)14(17)15-8-12(16)11-5-3-4-6-11/h7,11-12,16H,3-6,8H2,1-2H3,(H,15,17)
InChIKeyDHBCBZOOGFRRHC-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.65
Rot. Bonds4

About N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide

N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 111426339) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID111426339
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCC(O)C2CCCC2)sc1C
InChIInChI=1S/C14H21NO2S/c1-9-7-13(18-10(9)2)14(17)15-8-12(16)11-5-3-4-6-11/h7,11-12,16H,3-6,8H2,1-2H3,(H,15,17)
InChIKeyDHBCBZOOGFRRHC-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentyl-2-hydroxyethyl)-5-methyl-4-nitrothiophene-2-carboxamide
CID 111425705
N-(2-amino-2-cyclopropylethyl)-4,5-dimethylthiophene-2-carboxamide
CID 115301198
N-(2-cyclopentyl-2-hydroxyethyl)-5-methylthiophene-2-carboxamide
CID 111426354
N-(2,3-dihydroxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 66175829
N-[(2R)-2-hydroxypropyl]-4,5-dimethylthiophene-2-carboxamide
CID 83031116
N-(2-chloropropyl)-4,5-dimethylthiophene-2-carboxamide
CID 114296674
N-[(2-hydroxycyclohexyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 64912602
N-(2-cyclopentyl-2-hydroxyethyl)-2,5-dimethylbenzamide
CID 111425732
N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 60655347
N-(2-cyclopropyl-2-hydroxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 63295079
5-bromo-N-(2-cyclopentyl-2-hydroxyethyl)-2-methylbenzamide
CID 111477730
N-[2-(diethylamino)propyl]-4,5-dimethylthiophene-2-carboxamide
CID 86982985

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide (CID 111426339) is N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCC(O)C2CCCC2)sc1C.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is DHBCBZOOGFRRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9-7-13(18-10(9)2)14(17)15-8-12(16)11-5-3-4-6-11/h7,11-12,16H,3-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 267.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 111426339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).