N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide

C17H14N2O2S2 — CID 838783

IUPACN-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1cccs1
InChIInChI=1S/C17H14N2O2S2/c1-11-6-7-12(18-16(20)14-4-2-8-22-14)10-13(11)19-17(21)15-5-3-9-23-15/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyWXHSBBUFSHLCNH-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.62
Rot. Bonds4

About N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide

N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide (PubChem CID 838783) has the molecular formula C17H14N2O2S2 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
PubChem CID838783
Molecular FormulaC17H14N2O2S2
Molecular Weight342.45 g/mol
Exact Mass342.05
IUPAC NameN-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1cccs1
InChIInChI=1S/C17H14N2O2S2/c1-11-6-7-12(18-16(20)14-4-2-8-22-14)10-13(11)19-17(21)15-5-3-9-23-15/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyWXHSBBUFSHLCNH-UHFFFAOYSA-N
XLogP4.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid
CID 1432969
N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
4-methyl-3-(thiophene-2-carbonylamino)benzoate
CID 5122270
N-(4-bromo-3-methylphenyl)thiophene-2-carboxamide
CID 743467
N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide
CID 23856004
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 11327642
N-[(2,5-dimethylphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866335
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
N-[3-[3-(benzotriazol-1-yl)propanoylamino]-4-methylphenyl]thiophene-2-carboxamide
CID 23800699
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide (CID 838783) is N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1cccs1.
What is the InChIKey of N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is WXHSBBUFSHLCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S2/c1-11-6-7-12(18-16(20)14-4-2-8-22-14)10-13(11)19-17(21)15-5-3-9-23-15/h2-10H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide?
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 838783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).