3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea

C16H20N6O6S2 — CID 6737609

IUPAC3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC(=O)N(C)S(C)(=O)=O)cc2)n1
InChIInChI=1S/C16H20N6O6S2/c1-10-9-11(2)18-14(17-10)21-30(27,28)13-7-5-12(6-8-13)19-15(23)20-16(24)22(3)29(4,25)26/h5-9H,1-4H3,(H,17,18,21)(H2,19,20,23,24)
InChIKeyJRYXHMQWFZPCRQ-UHFFFAOYSA-N
MW456.51 g/mol
LogP1.03
Rot. Bonds5

About 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea

3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea (PubChem CID 6737609) has the molecular formula C16H20N6O6S2 and a molecular weight of 456.51 g/mol. Its IUPAC name is 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea.

Molecular Properties

Compound Name3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea
PubChem CID6737609
Molecular FormulaC16H20N6O6S2
Molecular Weight456.51 g/mol
Exact Mass456.09
IUPAC Name3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea
SMILESCc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC(=O)N(C)S(C)(=O)=O)cc2)n1
InChIInChI=1S/C16H20N6O6S2/c1-10-9-11(2)18-14(17-10)21-30(27,28)13-7-5-12(6-8-13)19-15(23)20-16(24)22(3)29(4,25)26/h5-9H,1-4H3,(H,17,18,21)(H2,19,20,23,24)
InChIKeyJRYXHMQWFZPCRQ-UHFFFAOYSA-N
XLogP1.03
TPSA167.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 4199590
1-(2,4-dimethylphenyl)-3-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]urea
CID 134105660
1-N,2-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzene-1,2-dicarboxamide
CID 4549702
2-N,6-N-bis[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4054283
4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
CID 1106551
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide
CID 4180072
5-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-5-oxopentanoic acid
CID 2813400
(2S)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(N-methylsulfonylanilino)butanamide
CID 94012165
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 94864743
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 25036662
2-cyclopentyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 2428955
methyl 4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]benzoate
CID 1187341

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea?
The IUPAC name of 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea (CID 6737609) is 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea.
What is the SMILES notation for 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea?
The canonical SMILES for 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)NC(=O)N(C)S(C)(=O)=O)cc2)n1.
What is the InChIKey of 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea?
The InChIKey is JRYXHMQWFZPCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O6S2/c1-10-9-11(2)18-14(17-10)21-30(27,28)13-7-5-12(6-8-13)19-15(23)20-16(24)22(3)29(4,25)26/h5-9H,1-4H3,(H,17,18,21)(H2,19,20,23,24).
What are the key properties of 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea?
3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea has a molecular weight of 456.51 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]-1-methyl-1-methylsulfonylurea is sourced from PubChem (CID 6737609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).