N-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide

C17H18ClN3O2S — CID 7185420

IUPACN-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(=O)[nH]c2c1CCCC2)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2S/c18-12-7-5-11(6-8-12)9-19-15(22)10-24-16-13-3-1-2-4-14(13)20-17(23)21-16/h5-8H,1-4,9-10H2,(H,19,22)(H,20,21,23)
InChIKeyPSOBYNOWLRWJFA-UHFFFAOYSA-N
MW363.87 g/mol
LogP2.71
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide

N-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (PubChem CID 7185420) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
PubChem CID7185420
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide
SMILESO=C(CSc1nc(=O)[nH]c2c1CCCC2)NCc1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2S/c18-12-7-5-11(6-8-12)9-19-15(22)10-24-16-13-3-1-2-4-14(13)20-17(23)21-16/h5-8H,1-4,9-10H2,(H,19,22)(H,20,21,23)
InChIKeyPSOBYNOWLRWJFA-UHFFFAOYSA-N
XLogP2.71
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide (CID 7185420) is N-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is O=C(CSc1nc(=O)[nH]c2c1CCCC2)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
The InChIKey is PSOBYNOWLRWJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c18-12-7-5-11(6-8-12)9-19-15(22)10-24-16-13-3-1-2-4-14(13)20-17(23)21-16/h5-8H,1-4,9-10H2,(H,19,22)(H,20,21,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide has a molecular weight of 363.87 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(2-oxo-5,6,7,8-tetrahydro-1H-quinazolin-4-yl)sulfanyl]acetamide is sourced from PubChem (CID 7185420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).