N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

C18H26N4O4S — CID 119465895

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESNCCNS(=O)(=O)c1cccc(NC(=O)C2CCCN(C(=O)C3CC3)C2)c1
InChIInChI=1S/C18H26N4O4S/c19-8-9-20-27(25,26)16-5-1-4-15(11-16)21-17(23)14-3-2-10-22(12-14)18(24)13-6-7-13/h1,4-5,11,13-14,20H,2-3,6-10,12,19H2,(H,21,23)
InChIKeyKGHHPCAIWACLGY-UHFFFAOYSA-N
MW394.50 g/mol
LogP0.51
Rot. Bonds7

About N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (PubChem CID 119465895) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
PubChem CID119465895
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
SMILESNCCNS(=O)(=O)c1cccc(NC(=O)C2CCCN(C(=O)C3CC3)C2)c1
InChIInChI=1S/C18H26N4O4S/c19-8-9-20-27(25,26)16-5-1-4-15(11-16)21-17(23)14-3-2-10-22(12-14)18(24)13-6-7-13/h1,4-5,11,13-14,20H,2-3,6-10,12,19H2,(H,21,23)
InChIKeyKGHHPCAIWACLGY-UHFFFAOYSA-N
XLogP0.51
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]cyclobutanecarboxamide;hydrochloride
CID 119465742
N-[3-(2-aminoethylsulfamoyl)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 119466007
(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide
CID 9073712
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide
CID 119465253
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159
ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42948173
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005
1-(cyclopropanecarbonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 55685452
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
N-(2-aminoethyl)-1-[3-(benzenesulfonamido)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119481380
tert-butyl 3-[[3-(tert-butylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55438893

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide (CID 119465895) is N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is NCCNS(=O)(=O)c1cccc(NC(=O)C2CCCN(C(=O)C3CC3)C2)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
The InChIKey is KGHHPCAIWACLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c19-8-9-20-27(25,26)16-5-1-4-15(11-16)21-17(23)14-3-2-10-22(12-14)18(24)13-6-7-13/h1,4-5,11,13-14,20H,2-3,6-10,12,19H2,(H,21,23).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119465895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).