N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide

C17H19N3O5S2 — CID 71705129

IUPACN-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCOc1cc2nc(C)n(CCNS(=O)(=O)c3cccs3)c(=O)c2cc1OC
InChIInChI=1S/C17H19N3O5S2/c1-11-19-13-10-15(25-3)14(24-2)9-12(13)17(21)20(11)7-6-18-27(22,23)16-5-4-8-26-16/h4-5,8-10,18H,6-7H2,1-3H3
InChIKeyZFXNZTXDWGNIRE-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.76
Rot. Bonds7

About N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide

N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 71705129) has the molecular formula C17H19N3O5S2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID71705129
Molecular FormulaC17H19N3O5S2
Molecular Weight409.49 g/mol
Exact Mass409.08
IUPAC NameN-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCOc1cc2nc(C)n(CCNS(=O)(=O)c3cccs3)c(=O)c2cc1OC
InChIInChI=1S/C17H19N3O5S2/c1-11-19-13-10-15(25-3)14(24-2)9-12(13)17(21)20(11)7-6-18-27(22,23)16-5-4-8-26-16/h4-5,8-10,18H,6-7H2,1-3H3
InChIKeyZFXNZTXDWGNIRE-UHFFFAOYSA-N
XLogP1.76
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide
CID 71835322
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 71827803
1-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 162540200
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 110789678
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]thiophene-2-sulfonamide
CID 30600704
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 7119085
N-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]thiophene-2-sulfonamide
CID 113082486
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 91638328
N-[2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133472879
N-[2-(4-fluoro-1,3-dioxoisoindol-2-yl)ethyl]thiophene-2-sulfonamide
CID 113082410
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide
CID 110396503

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide (CID 71705129) is N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide is COc1cc2nc(C)n(CCNS(=O)(=O)c3cccs3)c(=O)c2cc1OC.
What is the InChIKey of N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ZFXNZTXDWGNIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S2/c1-11-19-13-10-15(25-3)14(24-2)9-12(13)17(21)20(11)7-6-18-27(22,23)16-5-4-8-26-16/h4-5,8-10,18H,6-7H2,1-3H3.
What are the key properties of N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 409.49 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71705129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).