1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea

C15H15N5O5S2 — CID 21056431

IUPAC1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea
SMILESCNc1ccc2c(=O)n(CNC(=O)NS(=O)(=O)c3cccs3)c(=O)[nH]c2c1
InChIInChI=1S/C15H15N5O5S2/c1-16-9-4-5-10-11(7-9)18-15(23)20(13(10)21)8-17-14(22)19-27(24,25)12-3-2-6-26-12/h2-7,16H,8H2,1H3,(H,18,23)(H2,17,19,22)
InChIKeyBMPOIDQZMIIGFU-UHFFFAOYSA-N
MW409.45 g/mol
LogP0.44
Rot. Bonds5

About 1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea

1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea (PubChem CID 21056431) has the molecular formula C15H15N5O5S2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea.

Molecular Properties

Compound Name1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea
PubChem CID21056431
Molecular FormulaC15H15N5O5S2
Molecular Weight409.45 g/mol
Exact Mass409.05
IUPAC Name1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea
SMILESCNc1ccc2c(=O)n(CNC(=O)NS(=O)(=O)c3cccs3)c(=O)[nH]c2c1
InChIInChI=1S/C15H15N5O5S2/c1-16-9-4-5-10-11(7-9)18-15(23)20(13(10)21)8-17-14(22)19-27(24,25)12-3-2-6-26-12/h2-7,16H,8H2,1H3,(H,18,23)(H2,17,19,22)
InChIKeyBMPOIDQZMIIGFU-UHFFFAOYSA-N
XLogP0.44
TPSA142.16 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea with MolForge

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Launch Full Analysis

Related Compounds

1-[3-fluoro-4-[1-hydroxy-6-(methylamino)-3-oxoisoquinolin-2-yl]phenyl]-3-thiophen-2-ylsulfonylurea
CID 91095648
1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea
CID 172640271
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea
CID 71106458
1-(4-chloro-5-methylthiophen-2-yl)sulfonyl-3-[4-methoxy-2-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrimidin-5-yl]urea
CID 67966380
1-[3-chloro-4-(6-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-chloro-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-(7-methoxy-2,4-dioxo-1H-quinazolin-3-yl)phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea;1-[3-chloro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 159035262
1-[4-(dimethylamino)phenyl]-3-thiophen-2-ylsulfonylurea
CID 134114948
1-[3-chloro-4-[2,4-dioxo-7-(propylamino)-1H-quinazolin-3-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 20799098
3-ethyl-2,4-dioxo-N-[(1R)-1-thiophen-2-ylethyl]-1H-quinazoline-7-carboxamide
CID 94132682
2-(4-bromophenyl)-N-thiophen-2-ylsulfonylacetamide
CID 47268843
1-[(5-chlorothiophen-2-yl)methyl]-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea
CID 20799540
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
1-(3,4-dichlorophenyl)-3-thiophen-2-ylsulfonylurea
CID 19089331

Frequently Asked Questions

What is the IUPAC name of 1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea?
The IUPAC name of 1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea (CID 21056431) is 1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea.
What is the SMILES notation for 1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea?
The canonical SMILES for 1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea is CNc1ccc2c(=O)n(CNC(=O)NS(=O)(=O)c3cccs3)c(=O)[nH]c2c1.
What is the InChIKey of 1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea?
The InChIKey is BMPOIDQZMIIGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O5S2/c1-16-9-4-5-10-11(7-9)18-15(23)20(13(10)21)8-17-14(22)19-27(24,25)12-3-2-6-26-12/h2-7,16H,8H2,1H3,(H,18,23)(H2,17,19,22).
What are the key properties of 1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea?
1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea has a molecular weight of 409.45 g/mol, XLogP of 0.44, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]methyl]-3-thiophen-2-ylsulfonylurea is sourced from PubChem (CID 21056431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).