(2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide

C19H19N3O2S — CID 41103851

IUPAC(2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
SMILESC[C@H](Sc1nc(C2CC2)nc2ccccc12)C(=O)NCc1ccco1
InChIInChI=1S/C19H19N3O2S/c1-12(18(23)20-11-14-5-4-10-24-14)25-19-15-6-2-3-7-16(15)21-17(22-19)13-8-9-13/h2-7,10,12-13H,8-9,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyATIIAUMVMQSHIY-LBPRGKRZSA-N
MW353.45 g/mol
LogP3.90
Rot. Bonds6

About (2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide

(2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide (PubChem CID 41103851) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
PubChem CID41103851
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
SMILESC[C@H](Sc1nc(C2CC2)nc2ccccc12)C(=O)NCc1ccco1
InChIInChI=1S/C19H19N3O2S/c1-12(18(23)20-11-14-5-4-10-24-14)25-19-15-6-2-3-7-16(15)21-17(22-19)13-8-9-13/h2-7,10,12-13H,8-9,11H2,1H3,(H,20,23)/t12-/m0/s1
InChIKeyATIIAUMVMQSHIY-LBPRGKRZSA-N
XLogP3.90
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 46357692
(2R)-N-(furan-2-ylmethyl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide
CID 7580495
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(2-propan-2-ylphenyl)propanamide
CID 24579339
(2R)-N-(furan-2-ylmethyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7421293
N-(cyclopentylcarbamoyl)-2-(2-cyclopropylquinazolin-4-yl)sulfanylpropanamide
CID 24579373
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(1,1-dioxothiolan-3-yl)propanamide
CID 24579333
(2S)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 7420505
(2R)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(furan-2-ylmethyl)propanamide
CID 7420506
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
N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452543
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 24585582

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide (CID 41103851) is (2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide is C[C@H](Sc1nc(C2CC2)nc2ccccc12)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
The InChIKey is ATIIAUMVMQSHIY-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12(18(23)20-11-14-5-4-10-24-14)25-19-15-6-2-3-7-16(15)21-17(22-19)13-8-9-13/h2-7,10,12-13H,8-9,11H2,1H3,(H,20,23)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide?
(2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide has a molecular weight of 353.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-cyclopropylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 41103851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).