5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide

C16H24N2O2S — CID 123394244

IUPAC5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide
SMILESCCC(NC(=O)CC1CCCC1)c1cc(C)c(C(N)=O)s1
InChIInChI=1S/C16H24N2O2S/c1-3-12(13-8-10(2)15(21-13)16(17)20)18-14(19)9-11-6-4-5-7-11/h8,11-12H,3-7,9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyHMGKGMACNZCOFV-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.30
Rot. Bonds6

About 5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide

5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide (PubChem CID 123394244) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide
PubChem CID123394244
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide
SMILESCCC(NC(=O)CC1CCCC1)c1cc(C)c(C(N)=O)s1
InChIInChI=1S/C16H24N2O2S/c1-3-12(13-8-10(2)15(21-13)16(17)20)18-14(19)9-11-6-4-5-7-11/h8,11-12H,3-7,9H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyHMGKGMACNZCOFV-UHFFFAOYSA-N
XLogP3.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide (CID 123394244) is 5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide is CCC(NC(=O)CC1CCCC1)c1cc(C)c(C(N)=O)s1.
What is the InChIKey of 5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide?
The InChIKey is HMGKGMACNZCOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-3-12(13-8-10(2)15(21-13)16(17)20)18-14(19)9-11-6-4-5-7-11/h8,11-12H,3-7,9H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide?
5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-cyclopentylacetyl)amino]propyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 123394244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).