N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide

C14H15NOS — CID 7947060

IUPACN-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C14H15NOS/c1-9-5-4-6-12(11(9)3)15-14(16)13-10(2)7-8-17-13/h4-8H,1-3H3,(H,15,16)
InChIKeyPWAKMRFZSIRLMI-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.93
Rot. Bonds2

About N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide

N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide (PubChem CID 7947060) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
PubChem CID7947060
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC NameN-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C14H15NOS/c1-9-5-4-6-12(11(9)3)15-14(16)13-10(2)7-8-17-13/h4-8H,1-3H3,(H,15,16)
InChIKeyPWAKMRFZSIRLMI-UHFFFAOYSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.93
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-carbamothioyl-3-methylphenyl)-3-methylthiophene-2-carboxamide
CID 107805808
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methylthiophene-2-carboxamide
CID 107800790
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-anilinophenyl)-3-methylthiophene-2-carboxamide
CID 112770069
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
N-[3-(cyclohexylcarbamoyl)-2-methylphenyl]-3-methylthiophene-2-carboxamide
CID 46992416
N-(3-acetamido-2-methylphenyl)-3-phenylthiophene-2-carboxamide
CID 134019108

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide (CID 7947060) is N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is PWAKMRFZSIRLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-9-5-4-6-12(11(9)3)15-14(16)13-10(2)7-8-17-13/h4-8H,1-3H3,(H,15,16).
What are the key properties of N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide?
N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 245.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 7947060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).