2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide

C18H18N4O3S2 — CID 9329687

IUPAC2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESCCCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C18H18N4O3S2/c1-2-8-22-17(25)11-5-3-4-6-13(11)20-18(22)27-10-14(23)21-16-12(15(19)24)7-9-26-16/h3-7,9H,2,8,10H2,1H3,(H2,19,24)(H,21,23)
InChIKeyDFQUCCQGJIRDAB-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.70
Rot. Bonds7

About 2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide

2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide (PubChem CID 9329687) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
PubChem CID9329687
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Name2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide
SMILESCCCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C18H18N4O3S2/c1-2-8-22-17(25)11-5-3-4-6-13(11)20-18(22)27-10-14(23)21-16-12(15(19)24)7-9-26-16/h3-7,9H,2,8,10H2,1H3,(H2,19,24)(H,21,23)
InChIKeyDFQUCCQGJIRDAB-UHFFFAOYSA-N
XLogP2.70
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxamide
CID 16531272
N-(2,6-diethylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329899
2-[[2-[(5-propyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 46574244
2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 46397019
2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 9329683
2-[4-oxo-3-[2-[4-oxo-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylquinazolin-3-yl]ethyl]quinazolin-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 46370345
N-(2-ethoxyphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329894
N-(2-nitrophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329962
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
CID 2691088
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888
N-(2-chloro-6-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 46925073
2-[[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 3887478

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide (CID 9329687) is 2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide is CCCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O.
What is the InChIKey of 2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide?
The InChIKey is DFQUCCQGJIRDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-2-8-22-17(25)11-5-3-4-6-13(11)20-18(22)27-10-14(23)21-16-12(15(19)24)7-9-26-16/h3-7,9H,2,8,10H2,1H3,(H2,19,24)(H,21,23).
What are the key properties of 2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide?
2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 9329687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).