3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide

C27H28N4O6S — CID 10187024

IUPAC3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(S(=O)(=O)N(C)C)cc2)c(=O)n3C)cc1
InChIInChI=1S/C27H28N4O6S/c1-29(2)38(35,36)22-12-7-19(8-13-22)17-31-26(33)23-15-20(9-14-24(23)30(3)27(31)34)25(32)28-16-18-5-10-21(37-4)11-6-18/h5-15H,16-17H2,1-4H3,(H,28,32)
InChIKeyADXKXKZONBGARM-UHFFFAOYSA-N
MW536.61 g/mol
LogP1.94
Rot. Bonds8

About 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide

3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide (PubChem CID 10187024) has the molecular formula C27H28N4O6S and a molecular weight of 536.61 g/mol. Its IUPAC name is 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide.

Molecular Properties

Compound Name3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
PubChem CID10187024
Molecular FormulaC27H28N4O6S
Molecular Weight536.61 g/mol
Exact Mass536.17
IUPAC Name3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(S(=O)(=O)N(C)C)cc2)c(=O)n3C)cc1
InChIInChI=1S/C27H28N4O6S/c1-29(2)38(35,36)22-12-7-19(8-13-22)17-31-26(33)23-15-20(9-14-24(23)30(3)27(31)34)25(32)28-16-18-5-10-21(37-4)11-6-18/h5-15H,16-17H2,1-4H3,(H,28,32)
InChIKeyADXKXKZONBGARM-UHFFFAOYSA-N
XLogP1.94
TPSA119.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.61
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide with MolForge

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Related Compounds

3-benzyl-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10181036
2-chloro-4-[[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]methyl]benzoic acid
CID 70148537
2-[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]acetic acid
CID 70149214
[3-(dimethylamino)-2,2-dimethylpropyl] 4-[[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]methyl]benzoate
CID 59926355
N-[(4-methoxyphenyl)methyl]-1-methyl-3-(3-methylbut-2-enyl)-2,4-dioxoquinazoline-6-carboxamide
CID 10112057
3-(cyclopropylmethyl)-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10200588
N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-(3-phenylpropyl)quinazoline-6-carboxamide
CID 10115305
(E)-4-[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]but-2-enoic acid
CID 10137103
methyl 4-[[1-ethyl-6-[(4-methoxyphenyl)methylcarbamoyl]-2,4-dioxoquinazolin-3-yl]methyl]benzoate
CID 70147886
tert-butyl-[5-[[6-[(4-methoxyphenyl)methylcarbamoyl]-1-methyl-2,4-dioxoquinazolin-3-yl]methyl]-2-pyridinyl]carbamic acid
CID 70148240
N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxo-3-[(E)-3-pyridin-3-ylprop-2-enyl]quinazoline-6-carboxamide
CID 10204611
N-[(4-methoxyphenyl)methyl]-4-[(4-methyl-2,3-dioxoquinoxalin-1-yl)methyl]benzamide
CID 50815605

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide?
The IUPAC name of 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide (CID 10187024) is 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide.
What is the SMILES notation for 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide?
The canonical SMILES for 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide is COc1ccc(CNC(=O)c2ccc3c(c2)c(=O)n(Cc2ccc(S(=O)(=O)N(C)C)cc2)c(=O)n3C)cc1.
What is the InChIKey of 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide?
The InChIKey is ADXKXKZONBGARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O6S/c1-29(2)38(35,36)22-12-7-19(8-13-22)17-31-26(33)23-15-20(9-14-24(23)30(3)27(31)34)25(32)28-16-18-5-10-21(37-4)11-6-18/h5-15H,16-17H2,1-4H3,(H,28,32).
What are the key properties of 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide?
3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide has a molecular weight of 536.61 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide is sourced from PubChem (CID 10187024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).