N,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C26H37N3O3S — CID 3181435

IUPACN,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOCCCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C26H37N3O3S/c1-32-18-10-17-28-25(31)22-15-8-9-16-23(22)27-26(28)33-19-24(30)29(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h8-9,15-16,20-21H,2-7,10-14,17-19H2,1H3
InChIKeyNYOZLCYHPRRYEP-UHFFFAOYSA-N
MW471.67 g/mol
LogP5.02
Rot. Bonds9

About N,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 3181435) has the molecular formula C26H37N3O3S and a molecular weight of 471.67 g/mol. Its IUPAC name is N,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID3181435
Molecular FormulaC26H37N3O3S
Molecular Weight471.67 g/mol
Exact Mass471.26
IUPAC NameN,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOCCCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C26H37N3O3S/c1-32-18-10-17-28-25(31)22-15-8-9-16-23(22)27-26(28)33-19-24(30)29(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h8-9,15-16,20-21H,2-7,10-14,17-19H2,1H3
InChIKeyNYOZLCYHPRRYEP-UHFFFAOYSA-N
XLogP5.02
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.67
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-ethylacetamide
CID 55311914
3-(3-methoxypropyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one
CID 7116539
(2R)-N-cycloheptyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8578602
3-(3-methoxypropyl)-2-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]quinazolin-4-one
CID 112776663
N-methyl-N-(4-methylcyclohexyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide
CID 42156152
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 8980002
3-(3-methoxypropyl)-2-(4-oxo-4-phenylbutyl)sulfanylquinazolin-4-one
CID 112776674
2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2696328
3-(3-methoxypropyl)-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanylquinazolin-4-one
CID 5199801
2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanyl-3-(3-methoxypropyl)quinazolin-4-one
CID 41059209
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 11920225
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 11905581

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 3181435) is N,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is COCCCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of N,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is NYOZLCYHPRRYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3S/c1-32-18-10-17-28-25(31)22-15-8-9-16-23(22)27-26(28)33-19-24(30)29(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h8-9,15-16,20-21H,2-7,10-14,17-19H2,1H3.
What are the key properties of N,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 471.67 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 3181435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).