1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea

C20H22N6O4S — CID 162673144

IUPAC1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H22N6O4S/c1-31(28,29)25-15-8-6-14(7-9-15)21-20(27)24-19-22-17-5-3-2-4-16(17)18(23-19)26-10-12-30-13-11-26/h2-9,25H,10-13H2,1H3,(H2,21,22,23,24,27)
InChIKeySRROUSWLRXFGQL-UHFFFAOYSA-N
MW442.50 g/mol
LogP2.48
Rot. Bonds5

About 1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea

1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea (PubChem CID 162673144) has the molecular formula C20H22N6O4S and a molecular weight of 442.50 g/mol. Its IUPAC name is 1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea.

Molecular Properties

Compound Name1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea
PubChem CID162673144
Molecular FormulaC20H22N6O4S
Molecular Weight442.50 g/mol
Exact Mass442.14
IUPAC Name1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C20H22N6O4S/c1-31(28,29)25-15-8-6-14(7-9-15)21-20(27)24-19-22-17-5-3-2-4-16(17)18(23-19)26-10-12-30-13-11-26/h2-9,25H,10-13H2,1H3,(H2,21,22,23,24,27)
InChIKeySRROUSWLRXFGQL-UHFFFAOYSA-N
XLogP2.48
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The IUPAC name of 1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea (CID 162673144) is 1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea.
What is the SMILES notation for 1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The canonical SMILES for 1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea is CS(=O)(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The InChIKey is SRROUSWLRXFGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4S/c1-31(28,29)25-15-8-6-14(7-9-15)21-20(27)24-19-22-17-5-3-2-4-16(17)18(23-19)26-10-12-30-13-11-26/h2-9,25H,10-13H2,1H3,(H2,21,22,23,24,27).
What are the key properties of 1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea has a molecular weight of 442.50 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methanesulfonamido)phenyl]-3-(4-morpholin-4-ylquinazolin-2-yl)urea is sourced from PubChem (CID 162673144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).