5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide

C15H22N2O3S — CID 62526831

IUPAC5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC2(CO)CCCC(C)C2)s1
InChIInChI=1S/C15H22N2O3S/c1-10-4-3-7-15(8-10,9-18)17-14(20)12-5-6-13(21-12)16-11(2)19/h5-6,10,18H,3-4,7-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyASGHEUDVWNPEGY-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.38
Rot. Bonds4

About 5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide

5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide (PubChem CID 62526831) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
PubChem CID62526831
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC2(CO)CCCC(C)C2)s1
InChIInChI=1S/C15H22N2O3S/c1-10-4-3-7-15(8-10,9-18)17-14(20)12-5-6-13(21-12)16-11(2)19/h5-6,10,18H,3-4,7-9H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyASGHEUDVWNPEGY-UHFFFAOYSA-N
XLogP2.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide (CID 62526831) is 5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NC2(CO)CCCC(C)C2)s1.
What is the InChIKey of 5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide?
The InChIKey is ASGHEUDVWNPEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-4-3-7-15(8-10,9-18)17-14(20)12-5-6-13(21-12)16-11(2)19/h5-6,10,18H,3-4,7-9H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide?
5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide is sourced from PubChem (CID 62526831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).