3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide

C22H26N4O5S — CID 3241650

IUPAC3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C22H26N4O5S/c1-15-4-6-16(7-5-15)10-12-23-20(27)11-13-24-32(30,31)17-8-9-19-18(14-17)21(28)26(3)22(29)25(19)2/h4-9,14,24H,10-13H2,1-3H3,(H,23,27)
InChIKeyQFZQQDONSKWFGE-UHFFFAOYSA-N
MW458.54 g/mol
LogP0.57
Rot. Bonds8

About 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide

3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide (PubChem CID 3241650) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide
PubChem CID3241650
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC Name3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1
InChIInChI=1S/C22H26N4O5S/c1-15-4-6-16(7-5-15)10-12-23-20(27)11-13-24-32(30,31)17-8-9-19-18(14-17)21(28)26(3)22(29)25(19)2/h4-9,14,24H,10-13H2,1-3H3,(H,23,27)
InChIKeyQFZQQDONSKWFGE-UHFFFAOYSA-N
XLogP0.57
TPSA119.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide (CID 3241650) is 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide is Cc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1.
What is the InChIKey of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is QFZQQDONSKWFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-15-4-6-16(7-5-15)10-12-23-20(27)11-13-24-32(30,31)17-8-9-19-18(14-17)21(28)26(3)22(29)25(19)2/h4-9,14,24H,10-13H2,1-3H3,(H,23,27).
What are the key properties of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide?
3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 458.54 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-[2-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 3241650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).