ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate

C19H29N3O5S — CID 42948173

IUPACethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)C1
InChIInChI=1S/C19H29N3O5S/c1-4-22(5-2)28(25,26)17-11-7-10-16(13-17)20-18(23)15-9-8-12-21(14-15)19(24)27-6-3/h7,10-11,13,15H,4-6,8-9,12,14H2,1-3H3,(H,20,23)
InChIKeyUSMDJVSZJBPTDA-UHFFFAOYSA-N
MW411.52 g/mol
LogP2.52
Rot. Bonds7

About ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate

ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 42948173) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID42948173
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC Nameethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)C1
InChIInChI=1S/C19H29N3O5S/c1-4-22(5-2)28(25,26)17-11-7-10-16(13-17)20-18(23)15-9-8-12-21(14-15)19(24)27-6-3/h7,10-11,13,15H,4-6,8-9,12,14H2,1-3H3,(H,20,23)
InChIKeyUSMDJVSZJBPTDA-UHFFFAOYSA-N
XLogP2.52
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]carbamoyl]piperidine-1-carboxylate
CID 42948243
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005
(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 9074203
N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722
ethyl 1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxylate
CID 46684274
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717421
ethyl (3R)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)piperidine-1-carboxylate
CID 30806096
(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide
CID 9073712
tert-butyl 3-[[3-(tert-butylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55438893
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 42985627
butyl 3-[(3-acetylphenyl)carbamoyl]piperidine-1-carboxylate
CID 174880459
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate (CID 42948173) is ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCCC(C(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)C1.
What is the InChIKey of ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is USMDJVSZJBPTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-4-22(5-2)28(25,26)17-11-7-10-16(13-17)20-18(23)15-9-8-12-21(14-15)19(24)27-6-3/h7,10-11,13,15H,4-6,8-9,12,14H2,1-3H3,(H,20,23).
What are the key properties of ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 411.52 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 42948173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).