N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide

C18H17N5O3S — CID 17401059

IUPACN-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
SMILESCCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccnc1
InChIInChI=1S/C18H17N5O3S/c1-2-20-17(26)22-15(24)11-27-18-21-14-8-4-3-7-13(14)16(25)23(18)12-6-5-9-19-10-12/h3-10H,2,11H2,1H3,(H2,20,22,24,26)
InChIKeyGPGHGYHFFCMOPO-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.72
Rot. Bonds5

About N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide

N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide (PubChem CID 17401059) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
PubChem CID17401059
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC NameN-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
SMILESCCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccnc1
InChIInChI=1S/C18H17N5O3S/c1-2-20-17(26)22-15(24)11-27-18-21-14-8-4-3-7-13(14)16(25)23(18)12-6-5-9-19-10-12/h3-10H,2,11H2,1H3,(H2,20,22,24,26)
InChIKeyGPGHGYHFFCMOPO-UHFFFAOYSA-N
XLogP1.72
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate
CID 17403778
N-[(2S)-3-methylbutan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 40584082
N-[(2S)-1-methoxypropan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 41038076
N-cyclohexyl-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 17400783
N-ethyl-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2545587
N-(tert-butylcarbamoyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2652620
N-(ethylcarbamoyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4014846
N-[1-(2-methylphenyl)propan-2-yl]-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide
CID 87018774
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylacetamide
CID 16500228
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6886795
2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetonitrile
CID 17403779
2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]acetic acid
CID 3480779

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide (CID 17401059) is N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide is CCNC(=O)NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccnc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide?
The InChIKey is GPGHGYHFFCMOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-2-20-17(26)22-15(24)11-27-18-21-14-8-4-3-7-13(14)16(25)23(18)12-6-5-9-19-10-12/h3-10H,2,11H2,1H3,(H2,20,22,24,26).
What are the key properties of N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide?
N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide has a molecular weight of 383.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 17401059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).