2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide

C15H18N4O3S — CID 2691088

IUPAC2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
SMILESCCCCn1c(SCC(=O)NC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C15H18N4O3S/c1-2-3-8-19-13(21)10-6-4-5-7-11(10)17-15(19)23-9-12(20)18-14(16)22/h4-7H,2-3,8-9H2,1H3,(H3,16,18,20,22)
InChIKeyGWBLCGIGELGENN-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.48
Rot. Bonds6

About 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide (PubChem CID 2691088) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
PubChem CID2691088
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
SMILESCCCCn1c(SCC(=O)NC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C15H18N4O3S/c1-2-3-8-19-13(21)10-6-4-5-7-11(10)17-15(19)23-9-12(20)18-14(16)22/h4-7H,2-3,8-9H2,1H3,(H3,16,18,20,22)
InChIKeyGWBLCGIGELGENN-UHFFFAOYSA-N
XLogP1.48
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-carbamoyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7954371
N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide
CID 7856771
N-carbamoyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4004415
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
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-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide
CID 43039525
2-(2-bromoprop-2-enylsulfanyl)-3-butylquinazolin-4-one
CID 52727602

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide?
The IUPAC name of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide (CID 2691088) is 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide.
What is the SMILES notation for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide?
The canonical SMILES for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide is CCCCn1c(SCC(=O)NC(N)=O)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide?
The InChIKey is GWBLCGIGELGENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-2-3-8-19-13(21)10-6-4-5-7-11(10)17-15(19)23-9-12(20)18-14(16)22/h4-7H,2-3,8-9H2,1H3,(H3,16,18,20,22).
What are the key properties of 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide?
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide has a molecular weight of 334.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide is sourced from PubChem (CID 2691088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).