3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide

C19H30N4O4S — CID 16622876

IUPAC3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C19H30N4O4S/c1-23(2)28(26,27)17-11-7-6-8-15(17)14-21-18(24)12-13-20-19(25)22-16-9-4-3-5-10-16/h6-8,11,16H,3-5,9-10,12-14H2,1-2H3,(H,21,24)(H2,20,22,25)
InChIKeyKNDJDOONDSLDDC-UHFFFAOYSA-N
MW410.54 g/mol
LogP1.58
Rot. Bonds8

About 3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide

3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide (PubChem CID 16622876) has the molecular formula C19H30N4O4S and a molecular weight of 410.54 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
PubChem CID16622876
Molecular FormulaC19H30N4O4S
Molecular Weight410.54 g/mol
Exact Mass410.20
IUPAC Name3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C19H30N4O4S/c1-23(2)28(26,27)17-11-7-6-8-15(17)14-21-18(24)12-13-20-19(25)22-16-9-4-3-5-10-16/h6-8,11,16H,3-5,9-10,12-14H2,1-2H3,(H,21,24)(H2,20,22,25)
InChIKeyKNDJDOONDSLDDC-UHFFFAOYSA-N
XLogP1.58
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 41468178
3-(cyclohexylcarbamoylamino)-N-[2-(dimethylamino)-3-phenylpropyl]propanamide
CID 24640003
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-pentylurea
CID 134001741
2-(cycloheptylamino)-N,N-dimethylbenzenesulfonamide
CID 43454494
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 41267217
1-benzyl-3-[[2-(dimethylsulfamoyl)phenyl]methyl]urea
CID 24664693
N-[[2-(dimethylsulfamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119276890
cis-(1S,2R)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 26247678
2-(benzylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 24614024
2-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43383449
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56538624

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide (CID 16622876) is 3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)CCNC(=O)NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide?
The InChIKey is KNDJDOONDSLDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4S/c1-23(2)28(26,27)17-11-7-6-8-15(17)14-21-18(24)12-13-20-19(25)22-16-9-4-3-5-10-16/h6-8,11,16H,3-5,9-10,12-14H2,1-2H3,(H,21,24)(H2,20,22,25).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide?
3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide has a molecular weight of 410.54 g/mol, XLogP of 1.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide is sourced from PubChem (CID 16622876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).