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

C20H26N4O2S — CID 136769118

IUPACN-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
SMILESCCCC[C@H](CC)CNC(=O)C[C@@H]1Nc2c3ccccc3nc(=S)n2C1=O
InChIInChI=1S/C20H26N4O2S/c1-3-5-8-13(4-2)12-21-17(25)11-16-19(26)24-18(22-16)14-9-6-7-10-15(14)23-20(24)27/h6-7,9-10,13,16,22H,3-5,8,11-12H2,1-2H3,(H,21,25)/t13-,16-/m0/s1
InChIKeyRKYRWZRPUFZWHD-BBRMVZONSA-N
MW386.52 g/mol
LogP3.92
Rot. Bonds8

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

N-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide (PubChem CID 136769118) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
PubChem CID136769118
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
SMILESCCCC[C@H](CC)CNC(=O)C[C@@H]1Nc2c3ccccc3nc(=S)n2C1=O
InChIInChI=1S/C20H26N4O2S/c1-3-5-8-13(4-2)12-21-17(25)11-16-19(26)24-18(22-16)14-9-6-7-10-15(14)23-20(24)27/h6-7,9-10,13,16,22H,3-5,8,11-12H2,1-2H3,(H,21,25)/t13-,16-/m0/s1
InChIKeyRKYRWZRPUFZWHD-BBRMVZONSA-N
XLogP3.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide
CID 136747760
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
CID 136697048
3-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylpropanamide
CID 136728794
3-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 5054281
(2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
CID 137238991
N-[(2S)-2-ethylhexyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 8879338
(2S)-2-[(2S)-butan-2-yl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
CID 137216961
(2R)-2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
CID 136769128
N-[(2R)-2-ethylhexyl]-2-naphthalen-1-ylacetamide
CID 7314092
(2R)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
CID 136769059
N-[(2R)-2-ethylhexyl]-2-[(1R)-1-(1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetamide
CID 7343333
N-[(2S)-2-ethylhexyl]-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 7027596

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide?
The IUPAC name of N-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide (CID 136769118) is N-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide?
The canonical SMILES for N-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide is CCCC[C@H](CC)CNC(=O)C[C@@H]1Nc2c3ccccc3nc(=S)n2C1=O.
What is the InChIKey of N-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide?
The InChIKey is RKYRWZRPUFZWHD-BBRMVZONSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-3-5-8-13(4-2)12-21-17(25)11-16-19(26)24-18(22-16)14-9-6-7-10-15(14)23-20(24)27/h6-7,9-10,13,16,22H,3-5,8,11-12H2,1-2H3,(H,21,25)/t13-,16-/m0/s1.
What are the key properties of N-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide?
N-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide is sourced from PubChem (CID 136769118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).