3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide

C21H19N3O2S — CID 3329054

IUPAC3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)c1cccs1
InChIInChI=1S/C21H19N3O2S/c1-14-5-3-6-17(13-14)20(25)22-18-10-8-16(9-11-18)21(26)24-23-15(2)19-7-4-12-27-19/h3-13H,1-2H3,(H,22,25)(H,24,26)
InChIKeyYLHFQPHDUSNECH-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.46
Rot. Bonds5

About 3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide

3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide (PubChem CID 3329054) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide
PubChem CID3329054
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)c1cccs1
InChIInChI=1S/C21H19N3O2S/c1-14-5-3-6-17(13-14)20(25)22-18-10-8-16(9-11-18)21(26)24-23-15(2)19-7-4-12-27-19/h3-13H,1-2H3,(H,22,25)(H,24,26)
InChIKeyYLHFQPHDUSNECH-UHFFFAOYSA-N
XLogP4.46
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 39354555
3-methyl-N-[4-[[1-(4-nitrophenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3328905
N-[4-[N-[(4-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3558400
N-[(Z)-1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]thiophene-2-carboxamide
CID 6149852
N-[3-[N-[(4-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4300167
N-[3-[N-[(4-tert-butylbenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 1000066
N-[(Z)-1-thiophen-2-ylethylideneamino]-4-(trifluoromethyl)benzamide
CID 6382408
N-[4-[C-methyl-N-[(3,4,5-trihydroxybenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide
CID 3654494
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide?
The IUPAC name of 3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide (CID 3329054) is 3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide is CC(=NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1)c1cccs1.
What is the InChIKey of 3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide?
The InChIKey is YLHFQPHDUSNECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-14-5-3-6-17(13-14)20(25)22-18-10-8-16(9-11-18)21(26)24-23-15(2)19-7-4-12-27-19/h3-13H,1-2H3,(H,22,25)(H,24,26).
What are the key properties of 3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide?
3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide has a molecular weight of 377.47 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(1-thiophen-2-ylethylideneamino)carbamoyl]phenyl]benzamide is sourced from PubChem (CID 3329054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).