N-butyl-2-quinazolin-4-ylsulfanylacetamide

C14H17N3OS — CID 2696151

IUPACN-butyl-2-quinazolin-4-ylsulfanylacetamide
SMILESCCCCNC(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C14H17N3OS/c1-2-3-8-15-13(18)9-19-14-11-6-4-5-7-12(11)16-10-17-14/h4-7,10H,2-3,8-9H2,1H3,(H,15,18)
InChIKeySDPBQKIYAKBBRZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.64
Rot. Bonds6

About N-butyl-2-quinazolin-4-ylsulfanylacetamide

N-butyl-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2696151) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-butyl-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-butyl-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2696151
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-butyl-2-quinazolin-4-ylsulfanylacetamide
SMILESCCCCNC(=O)CSc1ncnc2ccccc12
InChIInChI=1S/C14H17N3OS/c1-2-3-8-15-13(18)9-19-14-11-6-4-5-7-12(11)16-10-17-14/h4-7,10H,2-3,8-9H2,1H3,(H,15,18)
InChIKeySDPBQKIYAKBBRZ-UHFFFAOYSA-N
XLogP2.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2607919
N-(2,6-dimethylphenyl)-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]acetamide
CID 9325504
N-butylquinazoline-4-carboxamide
CID 110702643
N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2410535
N-(3-methyl-1-phenylbutyl)-2-quinazolin-4-ylsulfanylacetamide
CID 43028222
N-butyl-2-phthalazin-1-ylsulfanylacetamide
CID 47154236
methyl 5-[[(2-quinazolin-4-ylsulfanylacetyl)amino]methyl]furan-2-carboxylate
CID 91962510
N-(4-chlorophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2362180
N-(prop-2-enylcarbamoyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2632326
N-butyl-2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2393174
N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide
CID 62028199
4-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzamide
CID 2409976

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-butyl-2-quinazolin-4-ylsulfanylacetamide (CID 2696151) is N-butyl-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-butyl-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-butyl-2-quinazolin-4-ylsulfanylacetamide is CCCCNC(=O)CSc1ncnc2ccccc12.
What is the InChIKey of N-butyl-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is SDPBQKIYAKBBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-3-8-15-13(18)9-19-14-11-6-4-5-7-12(11)16-10-17-14/h4-7,10H,2-3,8-9H2,1H3,(H,15,18).
What are the key properties of N-butyl-2-quinazolin-4-ylsulfanylacetamide?
N-butyl-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2696151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).