N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide

C15H18N2OS — CID 119497469

IUPACN-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
SMILESCC(N)CCNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-11(16)7-9-17-15(18)14-13(8-10-19-14)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9,16H2,1H3,(H,17,18)
InChIKeyMAGHFBZOBBUYOF-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.88
Rot. Bonds5

About N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide

N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide (PubChem CID 119497469) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
PubChem CID119497469
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
SMILESCC(N)CCNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-11(16)7-9-17-15(18)14-13(8-10-19-14)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9,16H2,1H3,(H,17,18)
InChIKeyMAGHFBZOBBUYOF-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119494952
N-but-3-enyl-3-phenylthiophene-2-carboxamide
CID 113465989
N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide
CID 119641993
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113
N-[2-(benzenesulfonyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 60515488
N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide
CID 111480141
methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate
CID 60656755
N-(4-phenoxybutyl)-3-phenylthiophene-2-carboxamide
CID 31671521
N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide
CID 65112605
N-(3-aminobutyl)-3-(difluoromethylsulfonyl)thiophene-2-carboxamide
CID 119495837
3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 18110932
N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide
CID 80506631

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide (CID 119497469) is N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide is CC(N)CCNC(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide?
The InChIKey is MAGHFBZOBBUYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11(16)7-9-17-15(18)14-13(8-10-19-14)12-5-3-2-4-6-12/h2-6,8,10-11H,7,9,16H2,1H3,(H,17,18).
What are the key properties of N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide?
N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 119497469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).