2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide

C15H16N2O2S2 — CID 2103495

IUPAC2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESCc1ccc(C)c(SCC(=O)Nc2sccc2C(N)=O)c1
InChIInChI=1S/C15H16N2O2S2/c1-9-3-4-10(2)12(7-9)21-8-13(18)17-15-11(14(16)19)5-6-20-15/h3-7H,8H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyLTQYIUBCCIXWMQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.19
Rot. Bonds5

About 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide

2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide (PubChem CID 2103495) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
PubChem CID2103495
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC Name2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESCc1ccc(C)c(SCC(=O)Nc2sccc2C(N)=O)c1
InChIInChI=1S/C15H16N2O2S2/c1-9-3-4-10(2)12(7-9)21-8-13(18)17-15-11(14(16)19)5-6-20-15/h3-7H,8H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyLTQYIUBCCIXWMQ-UHFFFAOYSA-N
XLogP3.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 2480699
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43027460
2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185
2-[[2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 4813749
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 36823108
2-[[2-(4-tert-butylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 7847408
2-[[2-(4-amino-3-fluorophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 79130151
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212510
2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide
CID 81003369
2-[[2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 16531272
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2498614

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide (CID 2103495) is 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide is Cc1ccc(C)c(SCC(=O)Nc2sccc2C(N)=O)c1.
What is the InChIKey of 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The InChIKey is LTQYIUBCCIXWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-9-3-4-10(2)12(7-9)21-8-13(18)17-15-11(14(16)19)5-6-20-15/h3-7H,8H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide?
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 2103495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).