1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea

C23H23N5O4S2 — CID 67966337

IUPAC1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
SMILESCCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3)c(C)nc2c1
InChIInChI=1S/C23H23N5O4S2/c1-4-24-17-8-11-19-20(13-17)25-15(3)28(22(19)29)18-9-6-16(7-10-18)26-23(30)27-34(31,32)21-12-5-14(2)33-21/h5-13,24H,4H2,1-3H3,(H2,26,27,30)
InChIKeyACUOVFZXBSAMOF-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.01
Rot. Bonds6

About 1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea

1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea (PubChem CID 67966337) has the molecular formula C23H23N5O4S2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea.

Molecular Properties

Compound Name1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
PubChem CID67966337
Molecular FormulaC23H23N5O4S2
Molecular Weight497.60 g/mol
Exact Mass497.12
IUPAC Name1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
SMILESCCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3)c(C)nc2c1
InChIInChI=1S/C23H23N5O4S2/c1-4-24-17-8-11-19-20(13-17)25-15(3)28(22(19)29)18-9-6-16(7-10-18)26-23(30)27-34(31,32)21-12-5-14(2)33-21/h5-13,24H,4H2,1-3H3,(H2,26,27,30)
InChIKeyACUOVFZXBSAMOF-UHFFFAOYSA-N
XLogP4.01
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea with MolForge

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Related Compounds

1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-fluorophenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
CID 67966534
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[2-methyl-4-oxo-7-(2,2,2-trifluoroethylamino)quinazolin-3-yl]phenyl]urea
CID 20799701
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-[2-(dimethylamino)ethylamino]-2-methyl-4-oxoquinazolin-3-yl]phenyl]urea
CID 20799796
1-(5-chlorothiophen-2-yl)sulfonyl-3-[4-[7-(ethylamino)-4-oxoquinazolin-3-yl]phenyl]urea
CID 20799830
1-[4-[7-(cyclopropylmethylamino)-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea
CID 71072469
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-[2-(dimethylamino)ethylamino]-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea
CID 20799977
1-(5-methylthiophen-2-yl)sulfonyl-3-[4-(1-oxo-7-sulfanylisoquinolin-2-yl)phenyl]urea
CID 71072410
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[7-(2-cyclohexylethylamino)-2-methyl-4-oxoquinazolin-3-yl]-3-pyridinyl]urea
CID 59484570
1-[6-(3,7-dimethyl-1,1,9-trioxo-4H-pyrimido[4,5-g][1,2,4]benzothiadiazin-8-yl)-3-pyridinyl]-3-(5-methylthiophen-2-yl)sulfonylurea
CID 70956564
1-(5-methylthiophen-2-yl)sulfonyl-3-[4-(5-oxo-2,3-dihydro-1H-pyrrolo[2,3-g]isoquinolin-6-yl)phenyl]urea
CID 20800177
1-[3-chloro-4-[6-(ethylamino)-1-hydroxy-3-oxoisoquinolin-2-yl]phenyl]-3-(5-chlorothiophen-2-yl)sulfonylurea
CID 91558699
1-(5-chlorothiophen-2-yl)sulfonyl-3-[6-[6-(ethylamino)-1-oxoisoquinolin-2-yl]-3-pyridinyl]urea
CID 20799951

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?
The IUPAC name of 1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea (CID 67966337) is 1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea.
What is the SMILES notation for 1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?
The canonical SMILES for 1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea is CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3)c(C)nc2c1.
What is the InChIKey of 1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?
The InChIKey is ACUOVFZXBSAMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4S2/c1-4-24-17-8-11-19-20(13-17)25-15(3)28(22(19)29)18-9-6-16(7-10-18)26-23(30)27-34(31,32)21-12-5-14(2)33-21/h5-13,24H,4H2,1-3H3,(H2,26,27,30).
What are the key properties of 1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea?
1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea has a molecular weight of 497.60 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(ethylamino)-2-methyl-4-oxoquinazolin-3-yl]phenyl]-3-(5-methylthiophen-2-yl)sulfonylurea is sourced from PubChem (CID 67966337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).