1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea

C16H26N4O3S — CID 75393640

IUPAC1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea
SMILESCCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)NC)c2C)CC1
InChIInChI=1S/C16H26N4O3S/c1-4-20-10-8-13(9-11-20)18-16(21)19-14-6-5-7-15(12(14)2)24(22,23)17-3/h5-7,13,17H,4,8-11H2,1-3H3,(H2,18,19,21)
InChIKeyHQXCMPBXVOADJP-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.51
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea

1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea (PubChem CID 75393640) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea
PubChem CID75393640
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea
SMILESCCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)NC)c2C)CC1
InChIInChI=1S/C16H26N4O3S/c1-4-20-10-8-13(9-11-20)18-16(21)19-14-6-5-7-15(12(14)2)24(22,23)17-3/h5-7,13,17H,4,8-11H2,1-3H3,(H2,18,19,21)
InChIKeyHQXCMPBXVOADJP-UHFFFAOYSA-N
XLogP1.51
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea
CID 47456871
methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate
CID 6465197
1-butyl-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea
CID 71914641
3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502124
2-[[(3R)-1-ethylpyrrolidin-3-yl]amino]benzenesulfonamide
CID 141356617
2-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120796053
1-(1-ethylpiperidin-4-yl)-3-pyridin-3-ylurea
CID 47014459
N-[2-methyl-3-(methylsulfamoyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119815905
1-(2,3-dimethylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 6470893
4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide
CID 119342097
2-[2-[(1-ethylpiperidin-4-yl)amino]phenyl]-N-methylacetamide
CID 43692190
3,4-dimethyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-(methylsulfamoyl)benzamide
CID 55753935

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea (CID 75393640) is 1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea is CCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)NC)c2C)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea?
The InChIKey is HQXCMPBXVOADJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-4-20-10-8-13(9-11-20)18-16(21)19-14-6-5-7-15(12(14)2)24(22,23)17-3/h5-7,13,17H,4,8-11H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea?
1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea has a molecular weight of 354.48 g/mol, XLogP of 1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea is sourced from PubChem (CID 75393640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).