5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide

C17H20N2O2S — CID 4787702

IUPAC5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NCCCc2ccccc2)s1
InChIInChI=1S/C17H20N2O2S/c1-13-9-10-15(22-13)17(21)19-12-16(20)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyDOWVXXIZMLAKRY-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.54
Rot. Bonds7

About 5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide

5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide (PubChem CID 4787702) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
PubChem CID4787702
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NCCCc2ccccc2)s1
InChIInChI=1S/C17H20N2O2S/c1-13-9-10-15(22-13)17(21)19-12-16(20)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyDOWVXXIZMLAKRY-UHFFFAOYSA-N
XLogP2.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide (CID 4787702) is 5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NCCCc2ccccc2)s1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is DOWVXXIZMLAKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13-9-10-15(22-13)17(21)19-12-16(20)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10H,5,8,11-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 4787702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).