5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C14H20N2O2S — CID 114549809

IUPAC5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NC2CCC(C)C2)s1
InChIInChI=1S/C14H20N2O2S/c1-9-3-5-11(7-9)16-13(17)8-15-14(18)12-6-4-10(2)19-12/h4,6,9,11H,3,5,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySSIZVHQSRAPUFO-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.09
Rot. Bonds4

About 5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide

5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 114549809) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID114549809
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NC2CCC(C)C2)s1
InChIInChI=1S/C14H20N2O2S/c1-9-3-5-11(7-9)16-13(17)8-15-14(18)12-6-4-10(2)19-12/h4,6,9,11H,3,5,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeySSIZVHQSRAPUFO-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 114549809) is 5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NC2CCC(C)C2)s1.
What is the InChIKey of 5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is SSIZVHQSRAPUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-3-5-11(7-9)16-13(17)8-15-14(18)12-6-4-10(2)19-12/h4,6,9,11H,3,5,7-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(3-methylcyclopentyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 114549809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).