2-amino-N-butyl-5-phenylthiophene-3-carboxamide

C15H18N2OS — CID 53383638

IUPAC2-amino-N-butyl-5-phenylthiophene-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccccc2)sc1N
InChIInChI=1S/C15H18N2OS/c1-2-3-9-17-15(18)12-10-13(19-14(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9,16H2,1H3,(H,17,18)
InChIKeyQWWMJRJCSZMXHZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.53
Rot. Bonds5

About 2-amino-N-butyl-5-phenylthiophene-3-carboxamide

2-amino-N-butyl-5-phenylthiophene-3-carboxamide (PubChem CID 53383638) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-amino-N-butyl-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-butyl-5-phenylthiophene-3-carboxamide
PubChem CID53383638
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-amino-N-butyl-5-phenylthiophene-3-carboxamide
SMILESCCCCNC(=O)c1cc(-c2ccccc2)sc1N
InChIInChI=1S/C15H18N2OS/c1-2-3-9-17-15(18)12-10-13(19-14(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9,16H2,1H3,(H,17,18)
InChIKeyQWWMJRJCSZMXHZ-UHFFFAOYSA-N
XLogP3.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.53
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 2-amino-N-butyl-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-butyl-5-phenylthiophene-3-carboxamide (CID 53383638) is 2-amino-N-butyl-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-butyl-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-butyl-5-phenylthiophene-3-carboxamide is CCCCNC(=O)c1cc(-c2ccccc2)sc1N.
What is the InChIKey of 2-amino-N-butyl-5-phenylthiophene-3-carboxamide?
The InChIKey is QWWMJRJCSZMXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-2-3-9-17-15(18)12-10-13(19-14(12)16)11-7-5-4-6-8-11/h4-8,10H,2-3,9,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-butyl-5-phenylthiophene-3-carboxamide?
2-amino-N-butyl-5-phenylthiophene-3-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 53383638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).