N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C21H21N3O4S — CID 40608287

IUPACN-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCO
InChIInChI=1S/C21H21N3O4S/c1-14(26)15-7-2-4-9-17(15)22-19(27)13-29-21-23-18-10-5-3-8-16(18)20(28)24(21)11-6-12-25/h2-5,7-10,25H,6,11-13H2,1H3,(H,22,27)
InChIKeySIKANLDBDMFILT-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.71
Rot. Bonds8

About N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 40608287) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID40608287
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC NameN-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCO
InChIInChI=1S/C21H21N3O4S/c1-14(26)15-7-2-4-9-17(15)22-19(27)13-29-21-23-18-10-5-3-8-16(18)20(28)24(21)11-6-12-25/h2-5,7-10,25H,6,11-13H2,1H3,(H,22,27)
InChIKeySIKANLDBDMFILT-UHFFFAOYSA-N
XLogP2.71
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-phenylbenzamide
CID 2564088
N-carbamoyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7954371
N-(2-chloro-4-methylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7954412
N-(5-chloro-2-methylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2575489
methyl 2-[[2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetyl]amino]benzoate
CID 2489407
N-(2-acetylphenyl)-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 2488352
2-[3-[3-[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 46370309
3-(3-hydroxypropyl)-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 47095161
N-(2-acetylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2094775
N-(3-fluorophenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2575276
N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 18282785
N-cycloheptyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4822867

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 40608287) is N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is CC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCCO.
What is the InChIKey of N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is SIKANLDBDMFILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-14(26)15-7-2-4-9-17(15)22-19(27)13-29-21-23-18-10-5-3-8-16(18)20(28)24(21)11-6-12-25/h2-5,7-10,25H,6,11-13H2,1H3,(H,22,27).
What are the key properties of N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 411.48 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 40608287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).