2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide

C18H21N3O3S2 — CID 24579333

IUPAC2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCC(Sc1nc(C2CC2)nc2ccccc12)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C18H21N3O3S2/c1-11(17(22)19-13-8-9-26(23,24)10-13)25-18-14-4-2-3-5-15(14)20-16(21-18)12-6-7-12/h2-5,11-13H,6-10H2,1H3,(H,19,22)
InChIKeySVRKEFFKYVPNBF-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.29
Rot. Bonds5

About 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide

2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 24579333) has the molecular formula C18H21N3O3S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID24579333
Molecular FormulaC18H21N3O3S2
Molecular Weight391.52 g/mol
Exact Mass391.10
IUPAC Name2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESCC(Sc1nc(C2CC2)nc2ccccc12)C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C18H21N3O3S2/c1-11(17(22)19-13-8-9-26(23,24)10-13)25-18-14-4-2-3-5-15(14)20-16(21-18)12-6-7-12/h2-5,11-13H,6-10H2,1H3,(H,19,22)
InChIKeySVRKEFFKYVPNBF-UHFFFAOYSA-N
XLogP2.29
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylpropanamide
CID 27976022
N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide
CID 24579373
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24579339
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylpropanamide
CID 38640155
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 24579334
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 24579343
(2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 41103851
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 41252869
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8738844
(2S)-2-(1-cyclohexylbenzimidazol-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]propanamide
CID 25324921
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 24579367
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8954000

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide (CID 24579333) is 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide is CC(Sc1nc(C2CC2)nc2ccccc12)C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is SVRKEFFKYVPNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S2/c1-11(17(22)19-13-8-9-26(23,24)10-13)25-18-14-4-2-3-5-15(14)20-16(21-18)12-6-7-12/h2-5,11-13H,6-10H2,1H3,(H,19,22).
What are the key properties of 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide?
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 391.52 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 24579333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).