N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C17H22N4O2S — CID 7144886

IUPACN-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(=O)NCCC(C)C)c2ccccc2n1
InChIInChI=1S/C17H22N4O2S/c1-11(2)8-9-18-17(23)21-15(22)10-24-16-13-6-4-5-7-14(13)19-12(3)20-16/h4-7,11H,8-10H2,1-3H3,(H2,18,21,22,23)
InChIKeyUBKCEQIECWDECW-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.90
Rot. Bonds6

About N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 7144886) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID7144886
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(=O)NCCC(C)C)c2ccccc2n1
InChIInChI=1S/C17H22N4O2S/c1-11(2)8-9-18-17(23)21-15(22)10-24-16-13-6-4-5-7-14(13)19-12(3)20-16/h4-7,11H,8-10H2,1-3H3,(H2,18,21,22,23)
InChIKeyUBKCEQIECWDECW-UHFFFAOYSA-N
XLogP2.90
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutylcarbamoyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7713138
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7145553
N-(2-methoxyethyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133990
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145941
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
N-(2-chlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145483
N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 78452790
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7210089
2-(2-methylquinazolin-4-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 7210077
2-(2-methylquinazolin-4-yl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 7627761

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 7144886) is N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)NC(=O)NCCC(C)C)c2ccccc2n1.
What is the InChIKey of N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is UBKCEQIECWDECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11(2)8-9-18-17(23)21-15(22)10-24-16-13-6-4-5-7-14(13)19-12(3)20-16/h4-7,11H,8-10H2,1-3H3,(H2,18,21,22,23).
What are the key properties of N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 346.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 7144886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).