2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide

C19H26N4O3S — CID 8807558

IUPAC2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)CC
InChIInChI=1S/C19H26N4O3S/c1-4-10-20-16(24)11-21-17(25)12-27-19-22-15-9-7-6-8-14(15)18(26)23(19)13(3)5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,24)(H,21,25)/t13-/m0/s1
InChIKeyJWCJMQQPTVEODP-ZDUSSCGKSA-N
MW390.51 g/mol
LogP2.10
Rot. Bonds9

About 2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide

2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide (PubChem CID 8807558) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide
PubChem CID8807558
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)CC
InChIInChI=1S/C19H26N4O3S/c1-4-10-20-16(24)11-21-17(25)12-27-19-22-15-9-7-6-8-14(15)18(26)23(19)13(3)5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,24)(H,21,25)/t13-/m0/s1
InChIKeyJWCJMQQPTVEODP-ZDUSSCGKSA-N
XLogP2.10
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide with MolForge

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Related Compounds

2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 4300691
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 4813828
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 16562361
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
N'-[2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]benzohydrazide
CID 2627146
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 5217741
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-[(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
2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 2529335

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide (CID 8807558) is 2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C)CC.
What is the InChIKey of 2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide?
The InChIKey is JWCJMQQPTVEODP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-4-10-20-16(24)11-21-17(25)12-27-19-22-15-9-7-6-8-14(15)18(26)23(19)13(3)5-2/h6-9,13H,4-5,10-12H2,1-3H3,(H,20,24)(H,21,25)/t13-/m0/s1.
What are the key properties of 2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide?
2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide has a molecular weight of 390.51 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide is sourced from PubChem (CID 8807558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).