2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide

C20H26N4O3S2 — CID 18139838

IUPAC2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Sc1nc(NC2CC2)c2ccccc2n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H26N4O3S2/c1-3-24(15-10-11-29(26,27)12-15)19(25)13(2)28-20-22-17-7-5-4-6-16(17)18(23-20)21-14-8-9-14/h4-7,13-15H,3,8-12H2,1-2H3,(H,21,22,23)
InChIKeyNHLGOHNDSXRBDF-UHFFFAOYSA-N
MW434.59 g/mol
LogP2.72
Rot. Bonds7

About 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide

2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide (PubChem CID 18139838) has the molecular formula C20H26N4O3S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
PubChem CID18139838
Molecular FormulaC20H26N4O3S2
Molecular Weight434.59 g/mol
Exact Mass434.14
IUPAC Name2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Sc1nc(NC2CC2)c2ccccc2n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H26N4O3S2/c1-3-24(15-10-11-29(26,27)12-15)19(25)13(2)28-20-22-17-7-5-4-6-16(17)18(23-20)21-14-8-9-14/h4-7,13-15H,3,8-12H2,1-2H3,(H,21,22,23)
InChIKeyNHLGOHNDSXRBDF-UHFFFAOYSA-N
XLogP2.72
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide with MolForge

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Related Compounds

(2S)-2-(4-anilinoquinazolin-2-yl)sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 40967795
methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate
CID 154752589
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 41359015
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46518661
(2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide
CID 41138316
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8939476
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 27971689
2-(4-anilinoquinazolin-2-yl)sulfanyl-N-butan-2-yl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17427665
2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 17405774
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 18129139
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 45356111
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 26011811

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide?
The IUPAC name of 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide (CID 18139838) is 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide?
The canonical SMILES for 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide is CCN(C(=O)C(C)Sc1nc(NC2CC2)c2ccccc2n1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide?
The InChIKey is NHLGOHNDSXRBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S2/c1-3-24(15-10-11-29(26,27)12-15)19(25)13(2)28-20-22-17-7-5-4-6-16(17)18(23-20)21-14-8-9-14/h4-7,13-15H,3,8-12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide?
2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide has a molecular weight of 434.59 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide is sourced from PubChem (CID 18139838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).