N-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

C14H17N3O2S — CID 135455065

IUPACN-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)17-11(18)8-20-13-15-10-7-5-4-6-9(10)12(19)16-13/h4-7H,8H2,1-3H3,(H,17,18)(H,15,16,19)
InChIKeyVEYUWYYMSVXDBJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.93
Rot. Bonds3

About N-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

N-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 135455065) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID135455065
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H17N3O2S/c1-14(2,3)17-11(18)8-20-13-15-10-7-5-4-6-9(10)12(19)16-13/h4-7H,8H2,1-3H3,(H,17,18)(H,15,16,19)
InChIKeyVEYUWYYMSVXDBJ-UHFFFAOYSA-N
XLogP1.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4(3H)-quinazolinone
CID 135400457
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
(4-Hydroxy-quinazolin-2-ylsulfanyl)-acetic acid
CID 135409719
Bis-quinazolinone 5
CID 145996538
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
2,6-Diamino-8-Propylsulfanylmethyl-3h-Quinazoline-4-One
CID 135461936
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
2-(3-Isopropoxy-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N,N-dimethyl-acetamide
CID 947562
3-Methyl-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020007
3-Methyl-2-[(3-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020009
2-(Prop-2-en-1-ylsulfanyl)-3,4-dihydroquinazolin-4-one
CID 135404691

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (CID 135455065) is N-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is CC(C)(C)NC(=O)CSc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is VEYUWYYMSVXDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-14(2,3)17-11(18)8-20-13-15-10-7-5-4-6-9(10)12(19)16-13/h4-7H,8H2,1-3H3,(H,17,18)(H,15,16,19).
What are the key properties of N-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
N-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135455065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).