(4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C16H22N4O4S — CID 95200194

IUPAC(4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C)NC(=O)N1
InChIInChI=1S/C16H22N4O4S/c1-10-14(11(2)19-16(22)18-10)15(21)17-9-12-5-7-13(8-6-12)25(23,24)20(3)4/h5-8,10H,9H2,1-4H3,(H,17,21)(H2,18,19,22)/t10-/m0/s1
InChIKeyJMUBQQNRTZMUEW-JTQLQIEISA-N
MW366.44 g/mol
LogP0.53
Rot. Bonds5

About (4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 95200194) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is (4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID95200194
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name(4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C)NC(=O)N1
InChIInChI=1S/C16H22N4O4S/c1-10-14(11(2)19-16(22)18-10)15(21)17-9-12-5-7-13(8-6-12)25(23,24)20(3)4/h5-8,10H,9H2,1-4H3,(H,17,21)(H2,18,19,22)/t10-/m0/s1
InChIKeyJMUBQQNRTZMUEW-JTQLQIEISA-N
XLogP0.53
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylsulfamoyl)-N-[(4-ethylphenyl)methyl]benzamide
CID 110779528
[4-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 9194509
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 8006630
N-[[4-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119735471
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 47038741
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 47038984
N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide
CID 17248855
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55812377
tert-butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate
CID 69244104
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-N',N'-diethyloxamide
CID 17248911

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 95200194) is (4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)[C@H](C)NC(=O)N1.
What is the InChIKey of (4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is JMUBQQNRTZMUEW-JTQLQIEISA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-10-14(11(2)19-16(22)18-10)15(21)17-9-12-5-7-13(8-6-12)25(23,24)20(3)4/h5-8,10H,9H2,1-4H3,(H,17,21)(H2,18,19,22)/t10-/m0/s1.
What are the key properties of (4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95200194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).