5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide

C15H15N3O3S2 — CID 136767933

IUPAC5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2nc3ccccc3c(=O)[nH]2)s1
InChIInChI=1S/C15H15N3O3S2/c1-10-6-7-14(22-10)23(20,21)16-9-8-13-17-12-5-3-2-4-11(12)15(19)18-13/h2-7,16H,8-9H2,1H3,(H,17,18,19)
InChIKeyBJCNUXVPLBBXOF-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.81
Rot. Bonds5

About 5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 136767933) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide
PubChem CID136767933
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC Name5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2nc3ccccc3c(=O)[nH]2)s1
InChIInChI=1S/C15H15N3O3S2/c1-10-6-7-14(22-10)23(20,21)16-9-8-13-17-12-5-3-2-4-11(12)15(19)18-13/h2-7,16H,8-9H2,1H3,(H,17,18,19)
InChIKeyBJCNUXVPLBBXOF-UHFFFAOYSA-N
XLogP1.81
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylsulfamoyl)ethyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135637114
3-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767873
N-(5-methyl-1,3-thiazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135819555
N-[(4-oxo-3H-quinazolin-2-yl)methyl]butane-1-sulfonamide
CID 137210253
2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-3H-quinazolin-4-one
CID 137314025
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
7-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 136662226
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
2-(aminomethyl)-3H-quinazolin-4-one;dihydrochloride
CID 137032189
N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135522437
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 136811645

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide (CID 136767933) is 5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCc2nc3ccccc3c(=O)[nH]2)s1.
What is the InChIKey of 5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is BJCNUXVPLBBXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c1-10-6-7-14(22-10)23(20,21)16-9-8-13-17-12-5-3-2-4-11(12)15(19)18-13/h2-7,16H,8-9H2,1H3,(H,17,18,19).
What are the key properties of 5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 349.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 136767933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).