(2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

C21H24N4O5S2 — CID 71579556

IUPAC(2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCS(=O)(=O)c1ccc2c(=O)n(C(CC3CCCCC3)C(=O)Nc3nccs3)c(=O)[nH]c2c1
InChIInChI=1S/C21H24N4O5S2/c1-32(29,30)14-7-8-15-16(12-14)23-21(28)25(19(15)27)17(11-13-5-3-2-4-6-13)18(26)24-20-22-9-10-31-20/h7-10,12-13,17H,2-6,11H2,1H3,(H,23,28)(H,22,24,26)
InChIKeyQVHADGBSQNHMJB-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.70
Rot. Bonds6

About (2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide

(2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 71579556) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is (2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID71579556
Molecular FormulaC21H24N4O5S2
Molecular Weight476.58 g/mol
Exact Mass476.12
IUPAC Name(2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCS(=O)(=O)c1ccc2c(=O)n(C(CC3CCCCC3)C(=O)Nc3nccs3)c(=O)[nH]c2c1
InChIInChI=1S/C21H24N4O5S2/c1-32(29,30)14-7-8-15-16(12-14)23-21(28)25(19(15)27)17(11-13-5-3-2-4-6-13)18(26)24-20-22-9-10-31-20/h7-10,12-13,17H,2-6,11H2,1H3,(H,23,28)(H,22,24,26)
InChIKeyQVHADGBSQNHMJB-UHFFFAOYSA-N
XLogP2.70
TPSA130.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide 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

2-[6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829002
2-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829043
2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide
CID 162369728
N-(5-chloro-1,3-thiazol-2-yl)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 57461474
3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398103
2-[7-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 163212721
2-[7-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxoquinazolin-3-yl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 164829033
(2s)-3-Cyclohexyl-2-(6-Fluoro-4-Oxoquinazolin-3(4h)-Yl)-N-(1,3-Thiazol-2-Yl)propanamide
CID 71295771
(2s)-3-Cyclohexyl-2-(6-Fluoro-2,4-Dioxo-1,4-Dihydroquinazolin-3(2h)-Yl)-N-(1,3-Thiazol-2-Yl)propanamide
CID 71295772
2-(3-Butyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 3173042
(2S)-3-cyclohexyl-2-(7-methylsulfonyl-4-oxoquinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 71579559
(2S)-3-cyclohexyl-2-(7-cyclopentylsulfonyl-4-oxoquinazolin-3-yl)-N-(5-fluoro-1,3-thiazol-2-yl)propanamide
CID 71579646

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 71579556) is (2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is CS(=O)(=O)c1ccc2c(=O)n(C(CC3CCCCC3)C(=O)Nc3nccs3)c(=O)[nH]c2c1.
What is the InChIKey of (2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is QVHADGBSQNHMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-32(29,30)14-7-8-15-16(12-14)23-21(28)25(19(15)27)17(11-13-5-3-2-4-6-13)18(26)24-20-22-9-10-31-20/h7-10,12-13,17H,2-6,11H2,1H3,(H,23,28)(H,22,24,26).
What are the key properties of (2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide?
(2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 476.58 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclohexyl-2-(7-methylsulfonyl-2,4-dioxo-1H-quinazolin-3-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 71579556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).