N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide

C13H18N2O2S — CID 18136712

IUPACN-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
SMILESCCCCNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H18N2O2S/c1-2-3-8-14-13(17)10-6-7-11(18-10)15-12(16)9-4-5-9/h6-7,9H,2-5,8H2,1H3,(H,14,17)(H,15,16)
InChIKeyKDIFKHGMDSFNKN-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.63
Rot. Bonds6

About N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide

N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide (PubChem CID 18136712) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
PubChem CID18136712
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
SMILESCCCCNC(=O)c1ccc(NC(=O)C2CC2)s1
InChIInChI=1S/C13H18N2O2S/c1-2-3-8-14-13(17)10-6-7-11(18-10)15-12(16)9-4-5-9/h6-7,9H,2-5,8H2,1H3,(H,14,17)(H,15,16)
InChIKeyKDIFKHGMDSFNKN-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The IUPAC name of N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide (CID 18136712) is N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide.
What is the SMILES notation for N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The canonical SMILES for N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide is CCCCNC(=O)c1ccc(NC(=O)C2CC2)s1.
What is the InChIKey of N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
The InChIKey is KDIFKHGMDSFNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-3-8-14-13(17)10-6-7-11(18-10)15-12(16)9-4-5-9/h6-7,9H,2-5,8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide?
N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide is sourced from PubChem (CID 18136712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).