3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide

C14H15NO2S2 — CID 86815311

IUPAC3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1CS(C)=O
InChIInChI=1S/C14H15NO2S2/c1-10-7-8-18-13(10)14(16)15-12-6-4-3-5-11(12)9-19(2)17/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyOAFUNIZSANOMQF-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.19
Rot. Bonds4

About 3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide

3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 86815311) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID86815311
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC Name3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1ccccc1CS(C)=O
InChIInChI=1S/C14H15NO2S2/c1-10-7-8-18-13(10)14(16)15-12-6-4-3-5-11(12)9-19(2)17/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyOAFUNIZSANOMQF-UHFFFAOYSA-N
XLogP3.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
N-[2-(chloromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 114298265
N-[2-(aminomethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 64894662
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
2-iodo-3-methyl-N-[2-(methylsulfinylmethyl)phenyl]benzamide
CID 75477996
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-tert-butylphenyl)-3-methylthiophene-2-carboxamide
CID 26515720
1-(4-hydroxy-2,3,5-trimethylphenyl)-3-[2-(methylsulfinylmethyl)phenyl]urea
CID 119034707
1-[2-(methylsulfinylmethyl)phenyl]-3-(thiophen-2-ylmethyl)urea
CID 75507329

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide (CID 86815311) is 3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1ccccc1CS(C)=O.
What is the InChIKey of 3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is OAFUNIZSANOMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-10-7-8-18-13(10)14(16)15-12-6-4-3-5-11(12)9-19(2)17/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide?
3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(methylsulfinylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 86815311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).