2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide

C21H22N2OS — CID 134146525

IUPAC2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide
SMILESNc1sc(-c2ccccc2)cc1C(=O)NCCCCc1ccccc1
InChIInChI=1S/C21H22N2OS/c22-20-18(15-19(25-20)17-12-5-2-6-13-17)21(24)23-14-8-7-11-16-9-3-1-4-10-16/h1-6,9-10,12-13,15H,7-8,11,14,22H2,(H,23,24)
InChIKeyDMJONCCMYZLQDF-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.75
Rot. Bonds7

About 2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide

2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide (PubChem CID 134146525) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide
PubChem CID134146525
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide
SMILESNc1sc(-c2ccccc2)cc1C(=O)NCCCCc1ccccc1
InChIInChI=1S/C21H22N2OS/c22-20-18(15-19(25-20)17-12-5-2-6-13-17)21(24)23-14-8-7-11-16-9-3-1-4-10-16/h1-6,9-10,12-13,15H,7-8,11,14,22H2,(H,23,24)
InChIKeyDMJONCCMYZLQDF-UHFFFAOYSA-N
XLogP4.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-5-phenylthiophene-3-carbonyl)amino]acetate
CID 3667213
2-amino-5-(4-bromophenyl)-N-butylthiophene-3-carboxamide
CID 134146546
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
5-amino-2-methyl-N-(5-phenylpentyl)benzamide;hydrochloride
CID 120630670
2-amino-N-(oxolan-3-ylmethyl)-5-phenylthiophene-3-carboxamide
CID 167495698
2-amino-N-(4-methylphenyl)-5-phenylthiophene-3-carboxamide
CID 134815708
2-amino-4-bromo-N-(3-phenylpropyl)benzamide
CID 79720097
8-phenyloctylcarbamic acid
CID 90271205
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide?
The IUPAC name of 2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide (CID 134146525) is 2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide is Nc1sc(-c2ccccc2)cc1C(=O)NCCCCc1ccccc1.
What is the InChIKey of 2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide?
The InChIKey is DMJONCCMYZLQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c22-20-18(15-19(25-20)17-12-5-2-6-13-17)21(24)23-14-8-7-11-16-9-3-1-4-10-16/h1-6,9-10,12-13,15H,7-8,11,14,22H2,(H,23,24).
What are the key properties of 2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide?
2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide has a molecular weight of 350.49 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-phenyl-N-(4-phenylbutyl)thiophene-3-carboxamide is sourced from PubChem (CID 134146525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).