N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide

C21H21N3O3S — CID 7856771

IUPACN-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide
SMILESCCCCn1c(SCC(=O)NC(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C21H21N3O3S/c1-2-3-13-24-20(27)16-11-7-8-12-17(16)22-21(24)28-14-18(25)23-19(26)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,23,25,26)
InChIKeySPXDIGBAWCZMQV-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.25
Rot. Bonds7

About N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide

N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide (PubChem CID 7856771) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide.

Molecular Properties

Compound NameN-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide
PubChem CID7856771
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC NameN-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide
SMILESCCCCn1c(SCC(=O)NC(=O)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C21H21N3O3S/c1-2-3-13-24-20(27)16-11-7-8-12-17(16)22-21(24)28-14-18(25)23-19(26)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,23,25,26)
InChIKeySPXDIGBAWCZMQV-UHFFFAOYSA-N
XLogP3.25
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
CID 2691088
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 7455033
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 2696216
N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7856748
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 7454990
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 3900360
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 9329551
2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide
CID 9329757
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide
CID 43039525
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one
CID 52727602
N-carbamoyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7954371

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide?
The IUPAC name of N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide (CID 7856771) is N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide.
What is the SMILES notation for N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide?
The canonical SMILES for N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide is CCCCn1c(SCC(=O)NC(=O)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide?
The InChIKey is SPXDIGBAWCZMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-2-3-13-24-20(27)16-11-7-8-12-17(16)22-21(24)28-14-18(25)23-19(26)15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3,(H,23,25,26).
What are the key properties of N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide?
N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide has a molecular weight of 395.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide is sourced from PubChem (CID 7856771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).