2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide

C25H24N4O4S — CID 2489896

IUPAC2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1
InChIInChI=1S/C25H24N4O4S/c1-17-9-11-18(12-10-17)26-22(30)15-28(2)23(31)16-34-25-27-21-8-4-3-7-20(21)24(32)29(25)14-19-6-5-13-33-19/h3-13H,14-16H2,1-2H3,(H,26,30)
InChIKeyXCIHWTQCAXRIJI-UHFFFAOYSA-N
MW476.56 g/mol
LogP3.54
Rot. Bonds8

About 2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 2489896) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID2489896
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1
InChIInChI=1S/C25H24N4O4S/c1-17-9-11-18(12-10-17)26-22(30)15-28(2)23(31)16-34-25-27-21-8-4-3-7-20(21)24(32)29(25)14-19-6-5-13-33-19/h3-13H,14-16H2,1-2H3,(H,26,30)
InChIKeyXCIHWTQCAXRIJI-UHFFFAOYSA-N
XLogP3.54
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide with MolForge

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Related Compounds

2-{5-[(4-fluorobenzyl)thio]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl}-N-(2-furylmethyl)acetamide
CID 3243352
2-Allylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 331177
2-benzamido-N-(furan-2-ylmethyl)benzamide
CID 1848423
7-methyl-5-(5-methyl-2-furyl)-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 2939982
2-[4-(2-furoyl)piperazin-1-yl]-3-phenylquinazolin-4(3H)-one
CID 3236029
Ethyl [(3-{6-[(2-furylmethyl)amino]-6-oxohexyl}-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetate
CID 3245433
N-(2,5-diethoxyphenyl)-2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
CID 650996
CID 9894278
CID 9894278
benzyl (2S)-2-[[4-[3-(furan-2-ylmethyl)-2-(4-morpholin-4-ylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 9987050
benzyl N-[(1S)-2-[4-[(2Z)-2-(3-fluorophenyl)imino-3-(2-furylmethyl)-4-oxo-thiazolidin-5-yl]anilino]-1-methyl-2-oxo-ethyl]carbamate
CID 10031254
(2S)-N-[4-[2-(3-fluorophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-yl]phenyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 10054239
benzyl N-[(2S)-1-[4-[3-(furan-2-ylmethyl)-2-(4-morpholin-4-ylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]anilino]-1-oxopropan-2-yl]carbamate
CID 10349318

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 2489896) is 2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1.
What is the InChIKey of 2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is XCIHWTQCAXRIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-17-9-11-18(12-10-17)26-22(30)15-28(2)23(31)16-34-25-27-21-8-4-3-7-20(21)24(32)29(25)14-19-6-5-13-33-19/h3-13H,14-16H2,1-2H3,(H,26,30).
What are the key properties of 2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 476.56 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2489896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).