N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide

C20H22N4O2S — CID 136919096

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
SMILESO=C(C[C@@H]1Nc2c3ccccc3nc(=S)n2C1=O)NCCC1=CCCCC1
InChIInChI=1S/C20H22N4O2S/c25-17(21-11-10-13-6-2-1-3-7-13)12-16-19(26)24-18(22-16)14-8-4-5-9-15(14)23-20(24)27/h4-6,8-9,16,22H,1-3,7,10-12H2,(H,21,25)/t16-/m0/s1
InChIKeyUVNKBYVEVTYOHZ-INIZCTEOSA-N
MW382.49 g/mol
LogP3.60
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide (PubChem CID 136919096) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
PubChem CID136919096
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
SMILESO=C(C[C@@H]1Nc2c3ccccc3nc(=S)n2C1=O)NCCC1=CCCCC1
InChIInChI=1S/C20H22N4O2S/c25-17(21-11-10-13-6-2-1-3-7-13)12-16-19(26)24-18(22-16)14-8-4-5-9-15(14)23-20(24)27/h4-6,8-9,16,22H,1-3,7,10-12H2,(H,21,25)/t16-/m0/s1
InChIKeyUVNKBYVEVTYOHZ-INIZCTEOSA-N
XLogP3.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
CID 136697048
3-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 5054281
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 50949631
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 110694584
N-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
CID 136769118
3-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylpropanamide
CID 136728794
N-[(4-chlorophenyl)methyl]-3-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]propanamide
CID 136668514
2-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 53366362
(2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
CID 137238991
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
2-[(1R,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 92667084
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide (CID 136919096) is N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide is O=C(C[C@@H]1Nc2c3ccccc3nc(=S)n2C1=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide?
The InChIKey is UVNKBYVEVTYOHZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-17(21-11-10-13-6-2-1-3-7-13)12-16-19(26)24-18(22-16)14-8-4-5-9-15(14)23-20(24)27/h4-6,8-9,16,22H,1-3,7,10-12H2,(H,21,25)/t16-/m0/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide is sourced from PubChem (CID 136919096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).