6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide

C23H26N4O4S2 — CID 55427480

IUPAC6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide
SMILESCC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)s1
InChIInChI=1S/C23H26N4O4S2/c1-15(28)25-13-16-10-11-20(33-16)19(29)14-32-23-26-18-8-5-4-7-17(18)22(31)27(23)12-6-2-3-9-21(24)30/h4-5,7-8,10-11H,2-3,6,9,12-14H2,1H3,(H2,24,30)(H,25,28)
InChIKeyTYBFDTXNKBQKHP-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.11
Rot. Bonds12

About 6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide

6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide (PubChem CID 55427480) has the molecular formula C23H26N4O4S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide.

Molecular Properties

Compound Name6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide
PubChem CID55427480
Molecular FormulaC23H26N4O4S2
Molecular Weight486.62 g/mol
Exact Mass486.14
IUPAC Name6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide
SMILESCC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)s1
InChIInChI=1S/C23H26N4O4S2/c1-15(28)25-13-16-10-11-20(33-16)19(29)14-32-23-26-18-8-5-4-7-17(18)22(31)27(23)12-6-2-3-9-21(24)30/h4-5,7-8,10-11H,2-3,6,9,12-14H2,1H3,(H2,24,30)(H,25,28)
InChIKeyTYBFDTXNKBQKHP-UHFFFAOYSA-N
XLogP3.11
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide with MolForge

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Related Compounds

2-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]sulfanyl-3-(3-hydroxypropyl)quinazolin-4-one
CID 18195313
tert-butyl 2-[3-(6-amino-6-oxohexyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 55473137
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
6-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]hexanamide
CID 55473521
N-[2-[5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
CID 27352073
6-[2-[2-[bis(3-methylbutyl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide
CID 55427478
3-butyl-2-(2-oxo-2-thiophen-2-ylethyl)sulfanylquinazolin-4-one
CID 7856825
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 9329551
6-[2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide
CID 55490910
6-[2-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide
CID 55427442
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
CID 2691088
2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 2624336

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide?
The IUPAC name of 6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide (CID 55427480) is 6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide.
What is the SMILES notation for 6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide?
The canonical SMILES for 6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide is CC(=O)NCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2CCCCCC(N)=O)s1.
What is the InChIKey of 6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide?
The InChIKey is TYBFDTXNKBQKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S2/c1-15(28)25-13-16-10-11-20(33-16)19(29)14-32-23-26-18-8-5-4-7-17(18)22(31)27(23)12-6-2-3-9-21(24)30/h4-5,7-8,10-11H,2-3,6,9,12-14H2,1H3,(H2,24,30)(H,25,28).
What are the key properties of 6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide?
6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide has a molecular weight of 486.62 g/mol, XLogP of 3.11, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide is sourced from PubChem (CID 55427480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).