3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea

C16H27N3O4S — CID 17257281

IUPAC3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC
InChIInChI=1S/C16H27N3O4S/c1-6-18(7-2)16(20)17-14-12-13(10-11-15(14)23-5)24(21,22)19(8-3)9-4/h10-12H,6-9H2,1-5H3,(H,17,20)
InChIKeyUOUSDFFHJBAUGZ-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.60
Rot. Bonds8

About 3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea

3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea (PubChem CID 17257281) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is 3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
PubChem CID17257281
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC
InChIInChI=1S/C16H27N3O4S/c1-6-18(7-2)16(20)17-14-12-13(10-11-15(14)23-5)24(21,22)19(8-3)9-4/h10-12H,6-9H2,1-5H3,(H,17,20)
InChIKeyUOUSDFFHJBAUGZ-UHFFFAOYSA-N
XLogP2.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-methylsulfanylacetamide
CID 17407665
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethoxyacetamide
CID 2947470
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3,4,5-trimethoxybenzamide
CID 2913924
N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
CID 35582178
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-iodobenzamide
CID 26901201
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-difluorobenzamide
CID 26901213
3-(5-bromo-2-methoxyphenyl)-1,1-diethylurea
CID 60562444
(2S)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-ethylhexanamide
CID 7299565
(2R)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-methoxyphenoxy)propanamide
CID 41477177
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,3-dimethylbenzamide
CID 9467095

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea?
The IUPAC name of 3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea (CID 17257281) is 3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea.
What is the SMILES notation for 3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea?
The canonical SMILES for 3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea is CCN(CC)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC.
What is the InChIKey of 3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea?
The InChIKey is UOUSDFFHJBAUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-6-18(7-2)16(20)17-14-12-13(10-11-15(14)23-5)24(21,22)19(8-3)9-4/h10-12H,6-9H2,1-5H3,(H,17,20).
What are the key properties of 3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea?
3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea has a molecular weight of 357.48 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1,1-diethylurea is sourced from PubChem (CID 17257281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).