N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide

C16H19NOS — CID 26515720

IUPACN-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H19NOS/c1-11-9-10-19-14(11)15(18)17-13-8-6-5-7-12(13)16(2,3)4/h5-10H,1-4H3,(H,17,18)
InChIKeyQUZKCMCGICFWST-UHFFFAOYSA-N
MW273.40 g/mol
LogP4.61
Rot. Bonds2

About N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide

N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 26515720) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide
PubChem CID26515720
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC NameN-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H19NOS/c1-11-9-10-19-14(11)15(18)17-13-8-6-5-7-12(13)16(2,3)4/h5-10H,1-4H3,(H,17,18)
InChIKeyQUZKCMCGICFWST-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
[2-[(3-methylthiophene-2-carbonyl)amino]phenyl]boronic acid
CID 58689740
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide
CID 112770069
N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 64894662
N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 114298265
2-amino-N-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792550
3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide
CID 86815311
N-[2-(4,4-dimethylhexan-2-yl)phenyl]-3-methylthiophene-2-carboxamide
CID 58812874
N-(4-amino-2-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24696696

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide (CID 26515720) is N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is QUZKCMCGICFWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-11-9-10-19-14(11)15(18)17-13-8-6-5-7-12(13)16(2,3)4/h5-10H,1-4H3,(H,17,18).
What are the key properties of N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide?
N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 273.40 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 26515720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).