N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide

C24H29N3O2S — CID 10180664

IUPACN-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide
SMILESNC(C(=O)N1CCSC1)C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C24H29N3O2S/c25-22(24(29)27-14-15-30-16-27)19-10-12-21(13-11-19)26-23(28)20-8-6-18(7-9-20)17-4-2-1-3-5-17/h1-9,19,21-22H,10-16,25H2,(H,26,28)
InChIKeyJDNMVSSJAWCERP-UHFFFAOYSA-N
MW423.58 g/mol
LogP3.50
Rot. Bonds5

About N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide

N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide (PubChem CID 10180664) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide
PubChem CID10180664
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC NameN-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide
SMILESNC(C(=O)N1CCSC1)C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C24H29N3O2S/c25-22(24(29)27-14-15-30-16-27)19-10-12-21(13-11-19)26-23(28)20-8-6-18(7-9-20)17-4-2-1-3-5-17/h1-9,19,21-22H,10-16,25H2,(H,26,28)
InChIKeyJDNMVSSJAWCERP-UHFFFAOYSA-N
XLogP3.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

naphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate
CID 10296143
4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 10224216
2-amino-2-cyclohexyl-1-(1,3-thiazolidin-3-yl)ethanone
CID 75031187
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559390
N-(1-cyclopropylpiperidin-4-yl)-4-phenylbenzamide
CID 26131227
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
(2S)-2-amino-2-cyclohexyl-1-(1,3-thiazinan-3-yl)ethanone
CID 142261867
N-cyclopropyl-4-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide
CID 135320146
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
2-amino-2-[4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]cyclohexyl]-1-(1,3-thiazolidin-3-yl)ethanone;trihydrochloride
CID 23139585

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide (CID 10180664) is N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide is NC(C(=O)N1CCSC1)C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide?
The InChIKey is JDNMVSSJAWCERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c25-22(24(29)27-14-15-30-16-27)19-10-12-21(13-11-19)26-23(28)20-8-6-18(7-9-20)17-4-2-1-3-5-17/h1-9,19,21-22H,10-16,25H2,(H,26,28).
What are the key properties of N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide?
N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide has a molecular weight of 423.58 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]-4-phenylbenzamide is sourced from PubChem (CID 10180664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).