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

C17H14N4O3S — CID 136697048

IUPACN-(furan-2-ylmethyl)-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)NCc1ccco1
InChIInChI=1S/C17H14N4O3S/c22-14(18-9-10-4-3-7-24-10)8-13-16(23)21-15(19-13)11-5-1-2-6-12(11)20-17(21)25/h1-7,13,19H,8-9H2,(H,18,22)/t13-/m0/s1
InChIKeyODQIEVDNOUFFDO-ZDUSSCGKSA-N
MW354.39 g/mol
LogP2.50
Rot. Bonds4

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

N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide (PubChem CID 136697048) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
PubChem CID136697048
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC NameN-(furan-2-ylmethyl)-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)NCc1ccco1
InChIInChI=1S/C17H14N4O3S/c22-14(18-9-10-4-3-7-24-10)8-13-16(23)21-15(19-13)11-5-1-2-6-12(11)20-17(21)25/h1-7,13,19H,8-9H2,(H,18,22)/t13-/m0/s1
InChIKeyODQIEVDNOUFFDO-ZDUSSCGKSA-N
XLogP2.50
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
CID 136769118
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
CID 136919096
N-[(4-chlorophenyl)methyl]-3-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]propanamide
CID 136668514
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
3-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylpropanamide
CID 136728794
(2R)-2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
CID 136769136
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
N-[2-(furan-2-yl)ethyl]-2-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91639661
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
(2S)-2-[(2R)-butan-2-yl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
CID 137216960
2-(2-bicyclo[2.2.1]heptanyl)-N-(furan-2-ylmethyl)acetamide
CID 51160476

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide (CID 136697048) is N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-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)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide?
The InChIKey is ODQIEVDNOUFFDO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H14N4O3S/c22-14(18-9-10-4-3-7-24-10)8-13-16(23)21-15(19-13)11-5-1-2-6-12(11)20-17(21)25/h1-7,13,19H,8-9H2,(H,18,22)/t13-/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide?
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide has a molecular weight of 354.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide is sourced from PubChem (CID 136697048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).