N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide

C15H15N3O4S2 — CID 71835322

IUPACN-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1c(=O)n(CCNS(=O)(=O)c2cccs2)c(=O)c2ccccc21
InChIInChI=1S/C15H15N3O4S2/c1-17-12-6-3-2-5-11(12)14(19)18(15(17)20)9-8-16-24(21,22)13-7-4-10-23-13/h2-7,10,16H,8-9H2,1H3
InChIKeyYOZJPFGPVLVGTQ-UHFFFAOYSA-N
MW365.44 g/mol
LogP0.74
Rot. Bonds5

About N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide

N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 71835322) has the molecular formula C15H15N3O4S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID71835322
Molecular FormulaC15H15N3O4S2
Molecular Weight365.44 g/mol
Exact Mass365.05
IUPAC NameN-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCn1c(=O)n(CCNS(=O)(=O)c2cccs2)c(=O)c2ccccc21
InChIInChI=1S/C15H15N3O4S2/c1-17-12-6-3-2-5-11(12)14(19)18(15(17)20)9-8-16-24(21,22)13-7-4-10-23-13/h2-7,10,16H,8-9H2,1H3
InChIKeyYOZJPFGPVLVGTQ-UHFFFAOYSA-N
XLogP0.74
TPSA90.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]thiophene-2-sulfonamide
CID 110396503
1-methyl-3-[2-(methylamino)ethyl]quinazoline-2,4-dione
CID 117262294
N-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide
CID 71705129
N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 110711995
3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride
CID 75485502
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
N-[2-(methylamino)ethyl]thiophene-2-sulfonamide
CID 62658549
N-[2-(ethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 119973565
1-methyl-3-(2-oxopropyl)quinazoline-2,4-dione
CID 117262066
N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 34247451
N-[2-(6-oxopyridazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 42226747
N-[2-(2-methylpiperidin-1-yl)ethyl]thiophene-2-sulfonamide
CID 47206387

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide (CID 71835322) is N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide is Cn1c(=O)n(CCNS(=O)(=O)c2cccs2)c(=O)c2ccccc21.
What is the InChIKey of N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YOZJPFGPVLVGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S2/c1-17-12-6-3-2-5-11(12)14(19)18(15(17)20)9-8-16-24(21,22)13-7-4-10-23-13/h2-7,10,16H,8-9H2,1H3.
What are the key properties of N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 365.44 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-2,4-dioxoquinazolin-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71835322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).