N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide

C24H29N5O5S — CID 3933787

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1c(CN2CCOCC2)nc2ccccc2c1=O
InChIInChI=1S/C24H29N5O5S/c1-17-8-9-18(35(32,33)27(2)3)14-21(17)26-23(30)16-29-22(15-28-10-12-34-13-11-28)25-20-7-5-4-6-19(20)24(29)31/h4-9,14H,10-13,15-16H2,1-3H3,(H,26,30)
InChIKeyXADRKRXUZDFBIA-UHFFFAOYSA-N
MW499.59 g/mol
LogP1.43
Rot. Bonds7

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide (PubChem CID 3933787) has the molecular formula C24H29N5O5S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
PubChem CID3933787
Molecular FormulaC24H29N5O5S
Molecular Weight499.59 g/mol
Exact Mass499.19
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1c(CN2CCOCC2)nc2ccccc2c1=O
InChIInChI=1S/C24H29N5O5S/c1-17-8-9-18(35(32,33)27(2)3)14-21(17)26-23(30)16-29-22(15-28-10-12-34-13-11-28)25-20-7-5-4-6-19(20)24(29)31/h4-9,14H,10-13,15-16H2,1-3H3,(H,26,30)
InChIKeyXADRKRXUZDFBIA-UHFFFAOYSA-N
XLogP1.43
TPSA113.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide (CID 3933787) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1c(CN2CCOCC2)nc2ccccc2c1=O.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide?
The InChIKey is XADRKRXUZDFBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S/c1-17-8-9-18(35(32,33)27(2)3)14-21(17)26-23(30)16-29-22(15-28-10-12-34-13-11-28)25-20-7-5-4-6-19(20)24(29)31/h4-9,14H,10-13,15-16H2,1-3H3,(H,26,30).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide has a molecular weight of 499.59 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide is sourced from PubChem (CID 3933787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).