N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide

C18H16N2OS — CID 112770069

IUPACN-(2-anilinophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C18H16N2OS/c1-13-11-12-22-17(13)18(21)20-16-10-6-5-9-15(16)19-14-7-3-2-4-8-14/h2-12,19H,1H3,(H,20,21)
InChIKeyJCAMZMWQFIEHQV-UHFFFAOYSA-N
MW308.41 g/mol
LogP5.05
Rot. Bonds4

About N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide

N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide (PubChem CID 112770069) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-anilinophenyl)-3-methylthiophene-2-carboxamide
PubChem CID112770069
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-(2-anilinophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C18H16N2OS/c1-13-11-12-22-17(13)18(21)20-16-10-6-5-9-15(16)19-14-7-3-2-4-8-14/h2-12,19H,1H3,(H,20,21)
InChIKeyJCAMZMWQFIEHQV-UHFFFAOYSA-N
XLogP5.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.41
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 24708997
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
[2-[(3-methylthiophene-2-carbonyl)amino]phenyl]boronic acid
CID 58689740
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 7947060
N-(2-tert-butylphenyl)-3-methylthiophene-2-carboxamide
CID 26515720
N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 64894662
N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 114298265
3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide
CID 86815311
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 35728610
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316

Frequently Asked Questions

What is the IUPAC name of N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide (CID 112770069) is N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccccc1Nc1ccccc1.
What is the InChIKey of N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is JCAMZMWQFIEHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-13-11-12-22-17(13)18(21)20-16-10-6-5-9-15(16)19-14-7-3-2-4-8-14/h2-12,19H,1H3,(H,20,21).
What are the key properties of N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide?
N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 112770069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).