2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide

C17H15N3O2S — CID 135460578

IUPAC2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H15N3O2S/c1-2-23-14-10-6-4-8-12(14)16(22)20-17-18-13-9-5-3-7-11(13)15(21)19-17/h3-10H,2H2,1H3,(H2,18,19,20,21,22)
InChIKeyAWWWSNVJPRNFOJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.29
Rot. Bonds4

About 2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide

2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide (PubChem CID 135460578) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide
PubChem CID135460578
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide
SMILESCCSc1ccccc1C(=O)Nc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C17H15N3O2S/c1-2-23-14-10-6-4-8-12(14)16(22)20-17-18-13-9-5-3-7-11(13)15(21)19-17/h3-10H,2H2,1H3,(H2,18,19,20,21,22)
InChIKeyAWWWSNVJPRNFOJ-UHFFFAOYSA-N
XLogP3.29
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-oxo-3H-quinazolin-2-yl)-3-phenylthiourea
CID 136646624
2-(propylamino)-3H-quinazolin-4-one
CID 135439661
(2S)-3-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]butanoic acid
CID 137098060
(2S)-4-methyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]pentanoic acid
CID 137098064
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
N,N-dimethyl-2-[(4-oxo-3H-quinazolin-2-yl)amino]acetamide
CID 137264056
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
2-[ethyl-[3-[(4-oxo-3H-quinazolin-2-yl)amino]cyclobutyl]amino]acetic acid
CID 137061337
N-(1-hydroxypropan-2-yl)-4-oxo-3H-quinazoline-2-carboxamide
CID 136759238
2-ethylsulfanyl-N-(1-naphthalen-1-ylethyl)benzamide
CID 24624533
2-(ethylamino)-N-(2-ethylsulfanylphenyl)benzamide
CID 63107839

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide?
The IUPAC name of 2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide (CID 135460578) is 2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide is CCSc1ccccc1C(=O)Nc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide?
The InChIKey is AWWWSNVJPRNFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-2-23-14-10-6-4-8-12(14)16(22)20-17-18-13-9-5-3-7-11(13)15(21)19-17/h3-10H,2H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide?
2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide has a molecular weight of 325.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-(4-oxo-3H-quinazolin-2-yl)benzamide is sourced from PubChem (CID 135460578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).