N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

C23H23N3O3S — CID 46485056

IUPACN-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C23H23N3O3S/c1-15(2)21(27)25-18-9-11-19(12-10-18)26-22(28)17-7-5-16(6-8-17)14-24-23(29)20-4-3-13-30-20/h3-13,15H,14H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyGWDDGYYLVINFRU-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.52
Rot. Bonds7

About N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide

N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 46485056) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID46485056
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C23H23N3O3S/c1-15(2)21(27)25-18-9-11-19(12-10-18)26-22(28)17-7-5-16(6-8-17)14-24-23(29)20-4-3-13-30-20/h3-13,15H,14H2,1-2H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyGWDDGYYLVINFRU-UHFFFAOYSA-N
XLogP4.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
N-[[4-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55752421
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
N-[[4-[[4-(cyanomethoxy)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46492094
N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24682821
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-methylsulfinylbenzamide
CID 51334218
N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]thiophene-2-carboxamide
CID 2224786
N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46669254
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[[4-[[2-methyl-5-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55766108
(2S)-4-methyl-2-[[4-[(thiophene-2-carbonylamino)methyl]benzoyl]amino]pentanoic acid
CID 119361616

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 46485056) is N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(CNC(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is GWDDGYYLVINFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-15(2)21(27)25-18-9-11-19(12-10-18)26-22(28)17-7-5-16(6-8-17)14-24-23(29)20-4-3-13-30-20/h3-13,15H,14H2,1-2H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46485056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).