N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide

C17H22N4O4S — CID 71795196

IUPACN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
SMILESCc1ncn(CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(=O)c1C
InChIInChI=1S/C17H22N4O4S/c1-12-13(2)19-11-21(17(12)23)10-9-18-16(22)14-5-7-15(8-6-14)26(24,25)20(3)4/h5-8,11H,9-10H2,1-4H3,(H,18,22)
InChIKeySRMUYPVEKHSJRJ-UHFFFAOYSA-N
MW378.45 g/mol
LogP0.54
Rot. Bonds6

About N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 71795196) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID71795196
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
SMILESCc1ncn(CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(=O)c1C
InChIInChI=1S/C17H22N4O4S/c1-12-13(2)19-11-21(17(12)23)10-9-18-16(22)14-5-7-15(8-6-14)26(24,25)20(3)4/h5-8,11H,9-10H2,1-4H3,(H,18,22)
InChIKeySRMUYPVEKHSJRJ-UHFFFAOYSA-N
XLogP0.54
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Sulfamylbenzamide,N-hexyl
CID 11778627
N-Butyl 4-sulfamylbenzamide
CID 10355056
N-Pentyl 4-sulfamylbenzamide
CID 23274923
N,N-dimethyl-4-(2-(methylthio)-4,5-dihydro-1H-imidazole-1-carbonyl)benzenesulfonamide
CID 4533272
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 11561418
N-cyclohexyl-4-(dipropylsulfamoyl)benzamide
CID 109059506
4-[(dimethylamino)sulfonyl]-N-isopropylbenzamide
CID 894524
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)benzamide
CID 2187295
4-(dimethylsulfamoyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 2595100
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
4-[(diethylamino)sulfonyl]-N-[2-(dimethylamino)ethyl]benzamide hydrochloride
CID 2918752
N,N-diethyl-4-(2-(methylthio)-4,5-dihydro-1H-imidazole-1-carbonyl)benzenesulfonamide
CID 3304200

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide (CID 71795196) is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide is Cc1ncn(CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(=O)c1C.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is SRMUYPVEKHSJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-12-13(2)19-11-21(17(12)23)10-9-18-16(22)14-5-7-15(8-6-14)26(24,25)20(3)4/h5-8,11H,9-10H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide?
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 378.45 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 71795196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).