5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide

C20H18N2O3S — CID 994778

IUPAC5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)cc1
InChIInChI=1S/C20H18N2O3S/c1-25-15-9-7-14(8-10-15)19(24)22-20-17(18(21)23)12-16(26-20)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,21,23)(H,22,24)
InChIKeyQTGIWKPMRFQEEL-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.70
Rot. Bonds6

About 5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide

5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide (PubChem CID 994778) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide
PubChem CID994778
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)cc1
InChIInChI=1S/C20H18N2O3S/c1-25-15-9-7-14(8-10-15)19(24)22-20-17(18(21)23)12-16(26-20)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,21,23)(H,22,24)
InChIKeyQTGIWKPMRFQEEL-UHFFFAOYSA-N
XLogP3.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide (CID 994778) is 5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide is COc1ccc(C(=O)Nc2sc(Cc3ccccc3)cc2C(N)=O)cc1.
What is the InChIKey of 5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is QTGIWKPMRFQEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-25-15-9-7-14(8-10-15)19(24)22-20-17(18(21)23)12-16(26-20)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of 5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide?
5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-[(4-methoxybenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 994778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).