N-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide

C13H18N2O2S — CID 75498929

IUPACN-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(C)C1(C(N)=O)CCCC1
InChIInChI=1S/C13H18N2O2S/c1-9-7-18-8-10(9)11(16)15(2)13(12(14)17)5-3-4-6-13/h7-8H,3-6H2,1-2H3,(H2,14,17)
InChIKeyDTVCNLIDEGMPJR-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.93
Rot. Bonds3

About N-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide

N-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide (PubChem CID 75498929) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide
PubChem CID75498929
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)N(C)C1(C(N)=O)CCCC1
InChIInChI=1S/C13H18N2O2S/c1-9-7-18-8-10(9)11(16)15(2)13(12(14)17)5-3-4-6-13/h7-8H,3-6H2,1-2H3,(H2,14,17)
InChIKeyDTVCNLIDEGMPJR-UHFFFAOYSA-N
XLogP1.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide (CID 75498929) is N-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide is Cc1cscc1C(=O)N(C)C1(C(N)=O)CCCC1.
What is the InChIKey of N-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide?
The InChIKey is DTVCNLIDEGMPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9-7-18-8-10(9)11(16)15(2)13(12(14)17)5-3-4-6-13/h7-8H,3-6H2,1-2H3,(H2,14,17).
What are the key properties of N-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide?
N-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclopentyl)-N,4-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 75498929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).