2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide

C16H18N2O3S — CID 7167000

IUPAC2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide
SMILESCCCCOc1ccc(C(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C16H18N2O3S/c1-2-3-9-21-12-6-4-11(5-7-12)15(20)18-16-13(14(17)19)8-10-22-16/h4-8,10H,2-3,9H2,1H3,(H2,17,19)(H,18,20)
InChIKeyXVDDSZAFWACRKY-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.28
Rot. Bonds7

About 2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide

2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide (PubChem CID 7167000) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide
PubChem CID7167000
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide
SMILESCCCCOc1ccc(C(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C16H18N2O3S/c1-2-3-9-21-12-6-4-11(5-7-12)15(20)18-16-13(14(17)19)8-10-22-16/h4-8,10H,2-3,9H2,1H3,(H2,17,19)(H,18,20)
InChIKeyXVDDSZAFWACRKY-UHFFFAOYSA-N
XLogP3.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide (CID 7167000) is 2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide is CCCCOc1ccc(C(=O)Nc2sccc2C(N)=O)cc1.
What is the InChIKey of 2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is XVDDSZAFWACRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-2-3-9-21-12-6-4-11(5-7-12)15(20)18-16-13(14(17)19)8-10-22-16/h4-8,10H,2-3,9H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide?
2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butoxybenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 7167000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).