2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide

C24H29N3O3S — CID 41378392

IUPAC2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
SMILESCCOCCCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccccc2c1=O
InChIInChI=1S/C24H29N3O3S/c1-4-30-14-8-13-27-23(29)20-11-5-6-12-21(20)26-24(27)31-16-22(28)25-19-10-7-9-18(15-19)17(2)3/h5-7,9-12,15,17H,4,8,13-14,16H2,1-3H3,(H,25,28)
InChIKeyWTTQNOJQHACMQJ-UHFFFAOYSA-N
MW439.58 g/mol
LogP4.68
Rot. Bonds10

About 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide

2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 41378392) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
PubChem CID41378392
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide
SMILESCCOCCCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccccc2c1=O
InChIInChI=1S/C24H29N3O3S/c1-4-30-14-8-13-27-23(29)20-11-5-6-12-21(20)26-24(27)31-16-22(28)25-19-10-7-9-18(15-19)17(2)3/h5-7,9-12,15,17H,4,8,13-14,16H2,1-3H3,(H,25,28)
InChIKeyWTTQNOJQHACMQJ-UHFFFAOYSA-N
XLogP4.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 7863485
N-(2-chlorophenyl)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3149128
N-(3-acetylphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide
CID 16510533
N-(3,4-dichlorophenyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41059574
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 7855403
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 3900360
N-(2,4-dimethoxyphenyl)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3596491
N-(3-bromophenyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3494579
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide
CID 16510467
N-[4-[(2S)-butan-2-yl]phenyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41059664
N-[4-[[2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3181449
2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2696328

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide (CID 41378392) is 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide is CCOCCCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is WTTQNOJQHACMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-4-30-14-8-13-27-23(29)20-11-5-6-12-21(20)26-24(27)31-16-22(28)25-19-10-7-9-18(15-19)17(2)3/h5-7,9-12,15,17H,4,8,13-14,16H2,1-3H3,(H,25,28).
What are the key properties of 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide?
2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 439.58 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 41378392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).