2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide

C20H28N4O3S — CID 8807535

IUPAC2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)CC
InChIInChI=1S/C20H28N4O3S/c1-5-14(4)24-19(27)15-10-8-9-11-16(15)22-20(24)28-13-18(26)23(7-3)12-17(25)21-6-2/h8-11,14H,5-7,12-13H2,1-4H3,(H,21,25)/t14-/m1/s1
InChIKeyUCDWEODBGSRNEV-CQSZACIVSA-N
MW404.54 g/mol
LogP2.44
Rot. Bonds9

About 2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide

2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide (PubChem CID 8807535) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide
PubChem CID8807535
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC Name2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)CC
InChIInChI=1S/C20H28N4O3S/c1-5-14(4)24-19(27)15-10-8-9-11-16(15)22-20(24)28-13-18(26)23(7-3)12-17(25)21-6-2/h8-11,14H,5-7,12-13H2,1-4H3,(H,21,25)/t14-/m1/s1
InChIKeyUCDWEODBGSRNEV-CQSZACIVSA-N
XLogP2.44
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 2529335
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 4813828
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 2624390
2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-tert-butylacetamide
CID 2529333
ethyl N-[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]carbamate
CID 2635460
3-[(2S)-butan-2-yl]-2-phenacylsulfanylquinazolin-4-one
CID 2624453
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 4300691
2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide
CID 8807558
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 5217741
N'-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide
CID 2627146
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8807588
methyl (2R,3R)-2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-3-methylpentanoate
CID 8807556

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide (CID 8807535) is 2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)C(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)CC.
What is the InChIKey of 2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide?
The InChIKey is UCDWEODBGSRNEV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-5-14(4)24-19(27)15-10-8-9-11-16(15)22-20(24)28-13-18(26)23(7-3)12-17(25)21-6-2/h8-11,14H,5-7,12-13H2,1-4H3,(H,21,25)/t14-/m1/s1.
What are the key properties of 2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide?
2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide has a molecular weight of 404.54 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 8807535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).