5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C15H22N2O2S — CID 18106469

IUPAC5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NC2CCC(C)CC2)s1
InChIInChI=1S/C15H22N2O2S/c1-10-3-6-12(7-4-10)17-14(18)9-16-15(19)13-8-5-11(2)20-13/h5,8,10,12H,3-4,6-7,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVXKMSBZGSFAITL-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.48
Rot. Bonds4

About 5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide

5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 18106469) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID18106469
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NC2CCC(C)CC2)s1
InChIInChI=1S/C15H22N2O2S/c1-10-3-6-12(7-4-10)17-14(18)9-16-15(19)13-8-5-11(2)20-13/h5,8,10,12H,3-4,6-7,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVXKMSBZGSFAITL-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.48
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-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 18106469) is 5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NC2CCC(C)CC2)s1.
What is the InChIKey of 5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is VXKMSBZGSFAITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10-3-6-12(7-4-10)17-14(18)9-16-15(19)13-8-5-11(2)20-13/h5,8,10,12H,3-4,6-7,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.48, 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-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18106469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).