(2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide

C18H18N4O2S2 — CID 7606681

IUPAC(2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
SMILESCCNC(=O)NC(=O)[C@H](C)Sc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H18N4O2S2/c1-3-19-18(24)22-16(23)11(2)26-17-12-7-4-5-8-13(12)20-15(21-17)14-9-6-10-25-14/h4-11H,3H2,1-2H3,(H2,19,22,23,24)/t11-/m0/s1
InChIKeyCBNOOTJAJFFYNM-NSHDSACASA-N
MW386.50 g/mol
LogP3.68
Rot. Bonds5

About (2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide

(2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide (PubChem CID 7606681) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
PubChem CID7606681
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC Name(2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
SMILESCCNC(=O)NC(=O)[C@H](C)Sc1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C18H18N4O2S2/c1-3-19-18(24)22-16(23)11(2)26-17-12-7-4-5-8-13(12)20-15(21-17)14-9-6-10-25-14/h4-11H,3H2,1-2H3,(H2,19,22,23,24)/t11-/m0/s1
InChIKeyCBNOOTJAJFFYNM-NSHDSACASA-N
XLogP3.68
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
CID 9268004
N-(propylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606684
N-(1,3-benzodioxol-5-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
CID 4786218
N-[[(2S)-butan-2-yl]carbamoyl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606818
(2R)-2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 2103428
N-[(2R)-3-methylbutan-2-yl]-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7300327
2-[2-(furan-2-yl)quinazolin-4-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 24585582
(2R)-N-(ethylcarbamoyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 2639363
N-(2-ethylphenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide
CID 7606772
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 2639801
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide
CID 24530271
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(ethylcarbamoyl)propanamide
CID 2638542

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide (CID 7606681) is (2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide is CCNC(=O)NC(=O)[C@H](C)Sc1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of (2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide?
The InChIKey is CBNOOTJAJFFYNM-NSHDSACASA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-3-19-18(24)22-16(23)11(2)26-17-12-7-4-5-8-13(12)20-15(21-17)14-9-6-10-25-14/h4-11H,3H2,1-2H3,(H2,19,22,23,24)/t11-/m0/s1.
What are the key properties of (2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide?
(2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide has a molecular weight of 386.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(ethylcarbamoyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylpropanamide is sourced from PubChem (CID 7606681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).