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

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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).