4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide

C18H16N2O2S2 — CID 86917121

IUPAC4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)sc1C
InChIInChI=1S/C18H16N2O2S2/c1-11-9-16(24-12(11)2)18(22)20-14-6-3-5-13(10-14)19-17(21)15-7-4-8-23-15/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyFKKPZUNKYJMRHN-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.93
Rot. Bonds4

About 4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide

4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide (PubChem CID 86917121) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
PubChem CID86917121
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC Name4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)sc1C
InChIInChI=1S/C18H16N2O2S2/c1-11-9-16(24-12(11)2)18(22)20-14-6-3-5-13(10-14)19-17(21)15-7-4-8-23-15/h3-10H,1-2H3,(H,19,21)(H,20,22)
InChIKeyFKKPZUNKYJMRHN-UHFFFAOYSA-N
XLogP4.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057768
N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 78779650
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872
4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide
CID 65239175
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383
N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide
CID 743467
N-[3-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 7268815
N-[3-(thiophene-2-carbonylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 31520701
N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 31506049
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid
CID 71936304

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide (CID 86917121) is 4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide is Cc1cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is FKKPZUNKYJMRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c1-11-9-16(24-12(11)2)18(22)20-14-6-3-5-13(10-14)19-17(21)15-7-4-8-23-15/h3-10H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 86917121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).