4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide

C20H27N3O3S — CID 2371469

IUPAC4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide
SMILESCCCCNC(=O)c1c(NCCC)sc(C(=O)c2ccc(OC)cc2)c1N
InChIInChI=1S/C20H27N3O3S/c1-4-6-12-22-19(25)15-16(21)18(27-20(15)23-11-5-2)17(24)13-7-9-14(26-3)10-8-13/h7-10,23H,4-6,11-12,21H2,1-3H3,(H,22,25)
InChIKeyVOINSIHENAGSKF-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.92
Rot. Bonds10

About 4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide

4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide (PubChem CID 2371469) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide
PubChem CID2371469
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide
SMILESCCCCNC(=O)c1c(NCCC)sc(C(=O)c2ccc(OC)cc2)c1N
InChIInChI=1S/C20H27N3O3S/c1-4-6-12-22-19(25)15-16(21)18(27-20(15)23-11-5-2)17(24)13-7-9-14(26-3)10-8-13/h7-10,23H,4-6,11-12,21H2,1-3H3,(H,22,25)
InChIKeyVOINSIHENAGSKF-UHFFFAOYSA-N
XLogP3.92
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide?
The IUPAC name of 4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide (CID 2371469) is 4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide is CCCCNC(=O)c1c(NCCC)sc(C(=O)c2ccc(OC)cc2)c1N.
What is the InChIKey of 4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide?
The InChIKey is VOINSIHENAGSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-4-6-12-22-19(25)15-16(21)18(27-20(15)23-11-5-2)17(24)13-7-9-14(26-3)10-8-13/h7-10,23H,4-6,11-12,21H2,1-3H3,(H,22,25).
What are the key properties of 4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide?
4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 3.92, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-5-(4-methoxybenzoyl)-2-(propylamino)thiophene-3-carboxamide is sourced from PubChem (CID 2371469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).