N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide

C17H22N2OS — CID 119641993

IUPACN-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H22N2OS/c1-3-17(18,4-2)12-19-16(20)15-14(10-11-21-15)13-8-6-5-7-9-13/h5-11H,3-4,12,18H2,1-2H3,(H,19,20)
InChIKeyXUHKFLSBGMGTRK-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.66
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide

N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide (PubChem CID 119641993) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide
PubChem CID119641993
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C17H22N2OS/c1-3-17(18,4-2)12-19-16(20)15-14(10-11-21-15)13-8-6-5-7-9-13/h5-11H,3-4,12,18H2,1-2H3,(H,19,20)
InChIKeyXUHKFLSBGMGTRK-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide
CID 65112605
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide
CID 81485162
N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide
CID 111480141
N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
N-tert-butyl-3-phenylthiophene-2-carboxamide
CID 60629670
N-[2-(benzenesulfonyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 60515488
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 26958695
N-but-3-enyl-3-phenylthiophene-2-carboxamide
CID 113465989
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide
CID 106180732
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylthiophene-2-carboxamide
CID 17477546
N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide;hydrochloride
CID 119640167

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide (CID 119641993) is N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide is CCC(N)(CC)CNC(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide?
The InChIKey is XUHKFLSBGMGTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-17(18,4-2)12-19-16(20)15-14(10-11-21-15)13-8-6-5-7-9-13/h5-11H,3-4,12,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide?
N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 119641993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).