2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide

C23H24N2O3S — CID 16857860

IUPAC2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
SMILESCCCCCOc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1
InChIInChI=1S/C23H24N2O3S/c1-2-3-7-13-28-18-12-8-11-17(14-18)22(27)25-23-19(21(24)26)15-20(29-23)16-9-5-4-6-10-16/h4-6,8-12,14-15H,2-3,7,13H2,1H3,(H2,24,26)(H,25,27)
InChIKeyKMFZGAHZBRYKBK-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.34
Rot. Bonds9

About 2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide

2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide (PubChem CID 16857860) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
PubChem CID16857860
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
SMILESCCCCCOc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1
InChIInChI=1S/C23H24N2O3S/c1-2-3-7-13-28-18-12-8-11-17(14-18)22(27)25-23-19(21(24)26)15-20(29-23)16-9-5-4-6-10-16/h4-6,8-12,14-15H,2-3,7,13H2,1H3,(H2,24,26)(H,25,27)
InChIKeyKMFZGAHZBRYKBK-UHFFFAOYSA-N
XLogP5.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.34
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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Related Compounds

2-[(3-methoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 4826880
2-[(3,4-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide
CID 16857829
ethyl 4-carbamoyl-3-methyl-5-[(3-pentoxybenzoyl)amino]thiophene-2-carboxylate
CID 7521216
3-pentoxybenzohydrazide
CID 54793157
N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide
CID 7167233
3-hexoxybenzohydrazide
CID 54793158
3-heptoxybenzohydrazide
CID 54793165
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
ethyl 2-[(3,5-dimethoxybenzoyl)amino]-5-phenylthiophene-3-carboxylate
CID 1189333

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide (CID 16857860) is 2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide is CCCCCOc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1.
What is the InChIKey of 2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is KMFZGAHZBRYKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-2-3-7-13-28-18-12-8-11-17(14-18)22(27)25-23-19(21(24)26)15-20(29-23)16-9-5-4-6-10-16/h4-6,8-12,14-15H,2-3,7,13H2,1H3,(H2,24,26)(H,25,27).
What are the key properties of 2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide?
2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 5.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pentoxybenzoyl)amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 16857860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).