1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea

C19H32N4O4S — CID 38355340

IUPAC1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea
SMILESCC[C@@](C)(CNC(=O)NCc1ccccc1S(=O)(=O)N(C)C)N1CCOCC1
InChIInChI=1S/C19H32N4O4S/c1-5-19(2,23-10-12-27-13-11-23)15-21-18(24)20-14-16-8-6-7-9-17(16)28(25,26)22(3)4/h6-9H,5,10-15H2,1-4H3,(H2,20,21,24)/t19-/m0/s1
InChIKeyZCTILYHASHHMSP-IBGZPJMESA-N
MW412.56 g/mol
LogP1.24
Rot. Bonds8

About 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea

1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea (PubChem CID 38355340) has the molecular formula C19H32N4O4S and a molecular weight of 412.56 g/mol. Its IUPAC name is 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea
PubChem CID38355340
Molecular FormulaC19H32N4O4S
Molecular Weight412.56 g/mol
Exact Mass412.21
IUPAC Name1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea
SMILESCC[C@@](C)(CNC(=O)NCc1ccccc1S(=O)(=O)N(C)C)N1CCOCC1
InChIInChI=1S/C19H32N4O4S/c1-5-19(2,23-10-12-27-13-11-23)15-21-18(24)20-14-16-8-6-7-9-17(16)28(25,26)22(3)4/h6-9H,5,10-15H2,1-4H3,(H2,20,21,24)/t19-/m0/s1
InChIKeyZCTILYHASHHMSP-IBGZPJMESA-N
XLogP1.24
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea with MolForge

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Related Compounds

1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-prop-2-ynylurea
CID 17459150
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-pentylurea
CID 134001741
1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41181880
1-(2-methyl-2-morpholin-4-ylbutyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 51082357
1-[[4-(dimethylamino)phenyl]methyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41430913
2-amino-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120785294
2-(benzylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 24614024
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 38204679
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41216110
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 41216105
4-iodo-N-(2-methyl-2-morpholin-4-ylbutyl)benzamide
CID 46450216

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea?
The IUPAC name of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea (CID 38355340) is 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea.
What is the SMILES notation for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea?
The canonical SMILES for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea is CC[C@@](C)(CNC(=O)NCc1ccccc1S(=O)(=O)N(C)C)N1CCOCC1.
What is the InChIKey of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea?
The InChIKey is ZCTILYHASHHMSP-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32N4O4S/c1-5-19(2,23-10-12-27-13-11-23)15-21-18(24)20-14-16-8-6-7-9-17(16)28(25,26)22(3)4/h6-9H,5,10-15H2,1-4H3,(H2,20,21,24)/t19-/m0/s1.
What are the key properties of 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea?
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea has a molecular weight of 412.56 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(2S)-2-methyl-2-morpholin-4-ylbutyl]urea is sourced from PubChem (CID 38355340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).