N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide

C18H16N2OS — CID 68725610

IUPACN-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cc1
InChIInChI=1S/C18H16N2OS/c1-12-2-4-13(5-3-12)18(21)20-17-10-14(6-7-16(17)19)15-8-9-22-11-15/h2-11H,19H2,1H3,(H,20,21)
InChIKeyWCYVDYQWAOQBJS-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.56
Rot. Bonds3

About N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide

N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide (PubChem CID 68725610) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide
PubChem CID68725610
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC NameN-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cc1
InChIInChI=1S/C18H16N2OS/c1-12-2-4-13(5-3-12)18(21)20-17-10-14(6-7-16(17)19)15-8-9-22-11-15/h2-11H,19H2,1H3,(H,20,21)
InChIKeyWCYVDYQWAOQBJS-UHFFFAOYSA-N
XLogP4.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl] acetate
CID 69101275
N-(2-amino-5-thiophen-3-ylphenyl)-4-[[2-(methylamino)-2-oxoethyl]amino]benzamide
CID 24947107
4-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]butanoic acid
CID 158119892
2-(dimethylamino)ethyl N-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]carbamate
CID 69101191
[(2S)-3-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]-1-oxo-1-(propylamino)propan-2-yl]carbamic acid
CID 67497874
N-(2-amino-5-thiophen-3-ylphenyl)-4-[3-(methanesulfonamido)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 24753767
[(2S)-3-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]-1-(cyclopropylamino)-1-oxopropan-2-yl]carbamic acid
CID 67497881
N-(2-amino-5-thiophen-3-ylphenyl)-4-[(4R)-4-(dimethylamino)-2-iminopentyl]benzamide
CID 174575858
[(2S)-3-[4-[(2-amino-5-thiophen-3-ylphenyl)carbamoyl]phenyl]-1-(methylamino)-1-oxopropan-2-yl]-benzylcarbamic acid
CID 24753578
N-(2-amino-5-thiophen-3-ylphenyl)-6-[[methoxy(phenyl)phosphanyl]methyl]pyridine-3-carboxamide
CID 143614084
N-[2-amino-5-(4-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736664
N-(2-amino-5-methylphenyl)-4-methylsulfanylbenzamide
CID 112557228

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide?
The IUPAC name of N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide (CID 68725610) is N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide?
The canonical SMILES for N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(-c3ccsc3)ccc2N)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide?
The InChIKey is WCYVDYQWAOQBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-12-2-4-13(5-3-12)18(21)20-17-10-14(6-7-16(17)19)15-8-9-22-11-15/h2-11H,19H2,1H3,(H,20,21).
What are the key properties of N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide?
N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide has a molecular weight of 308.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-3-ylphenyl)-4-methylbenzamide is sourced from PubChem (CID 68725610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).