N-tert-butyl-3-phenylthiophene-2-carboxamide

C15H17NOS — CID 60629670

IUPACN-tert-butyl-3-phenylthiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C15H17NOS/c1-15(2,3)16-14(17)13-12(9-10-18-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17)
InChIKeyXYTMRAQEPOJARM-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.94
Rot. Bonds2

About N-tert-butyl-3-phenylthiophene-2-carboxamide

N-tert-butyl-3-phenylthiophene-2-carboxamide (PubChem CID 60629670) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is N-tert-butyl-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-phenylthiophene-2-carboxamide
PubChem CID60629670
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC NameN-tert-butyl-3-phenylthiophene-2-carboxamide
SMILESCC(C)(C)NC(=O)c1sccc1-c1ccccc1
InChIInChI=1S/C15H17NOS/c1-15(2,3)16-14(17)13-12(9-10-18-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17)
InChIKeyXYTMRAQEPOJARM-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-phenylthiophene-2-carboxamide
CID 106180732
N-(2-hydroxy-2-methylpropyl)-3-phenylthiophene-2-carboxamide
CID 65110113
methyl 2-[(3-phenylthiophene-2-carbonyl)amino]propanoate
CID 60656755
3-phenyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 18110932
N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide
CID 65112605
N-(3,5-dimethoxyphenyl)-3-phenylthiophene-2-carboxamide
CID 17449024
N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide
CID 119641993
N-(4-hydroxy-2,2-dimethylpentyl)-3-phenylthiophene-2-carboxamide
CID 111480141
N-[2-(tert-butylamino)-2-oxoethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 51256105
3-phenylthiophene-2-carbonyl chloride
CID 119087278
N-[1-(4-chlorophenyl)ethyl]-3-phenylthiophene-2-carboxamide
CID 18267936
N-(3-acetamido-2-methylphenyl)-3-phenylthiophene-2-carboxamide
CID 134019108

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-tert-butyl-3-phenylthiophene-2-carboxamide (CID 60629670) is N-tert-butyl-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-tert-butyl-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-tert-butyl-3-phenylthiophene-2-carboxamide is CC(C)(C)NC(=O)c1sccc1-c1ccccc1.
What is the InChIKey of N-tert-butyl-3-phenylthiophene-2-carboxamide?
The InChIKey is XYTMRAQEPOJARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-15(2,3)16-14(17)13-12(9-10-18-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-3-phenylthiophene-2-carboxamide?
N-tert-butyl-3-phenylthiophene-2-carboxamide has a molecular weight of 259.37 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 60629670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).