N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide

C23H22N2O2S — CID 59627263

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CCC(=O)C2CC2)cc1
InChIInChI=1S/C23H22N2O2S/c24-19-11-10-18(22-2-1-13-28-22)14-20(19)25-23(27)17-6-3-15(4-7-17)5-12-21(26)16-8-9-16/h1-4,6-7,10-11,13-14,16H,5,8-9,12,24H2,(H,25,27)
InChIKeyIHIOQUQFYJPQDG-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.16
Rot. Bonds7

About N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide

N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide (PubChem CID 59627263) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide
PubChem CID59627263
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide
SMILESNc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CCC(=O)C2CC2)cc1
InChIInChI=1S/C23H22N2O2S/c24-19-11-10-18(22-2-1-13-28-22)14-20(19)25-23(27)17-6-3-15(4-7-17)5-12-21(26)16-8-9-16/h1-4,6-7,10-11,13-14,16H,5,8-9,12,24H2,(H,25,27)
InChIKeyIHIOQUQFYJPQDG-UHFFFAOYSA-N
XLogP5.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-4-[3-[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]-3-oxopropyl]benzamide
CID 58283991
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-oxo-5-trimethylsilylpentyl)benzamide
CID 58283988
N-(2-amino-5-thiophen-2-ylphenyl)-4-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]benzamide
CID 69101017
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-trimethylsilylpropyl)benzamide
CID 58283961
[(5R)-3,3-dimethyl-1,3-azasilolidin-5-yl]methyl 3-[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]propanoate
CID 58283968
N-(2-amino-5-thiophen-2-ylphenyl)-4-(benzamidomethyl)benzamide
CID 25157373
CID 88928326
CID 88928326
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(4-hydroxy-1-methyl-1,4-azaphosphinan-4-ium-4-yl)methyl]benzamide
CID 67317506
N-(2-amino-5-thiophen-2-ylphenyl)-4-[2-[ethoxy(methyl)phosphanyl]oxyethyl]benzamide
CID 143614034
N-(2-amino-5-thiophen-2-ylphenyl)-4-[(methylsulfonimidoyl)methyl]benzamide
CID 168792590
N-(2-amino-5-thiophen-2-ylphenyl)-4-[2-(4-methyl-2,5-dioxopiperazin-1-yl)ethyl]benzamide
CID 145031072
(2S)-N-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 25157970

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide (CID 59627263) is N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide is Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CCC(=O)C2CC2)cc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide?
The InChIKey is IHIOQUQFYJPQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c24-19-11-10-18(22-2-1-13-28-22)14-20(19)25-23(27)17-6-3-15(4-7-17)5-12-21(26)16-8-9-16/h1-4,6-7,10-11,13-14,16H,5,8-9,12,24H2,(H,25,27).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide?
N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide has a molecular weight of 390.51 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-4-(3-cyclopropyl-3-oxopropyl)benzamide is sourced from PubChem (CID 59627263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).