N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide

C15H24N4O4S — CID 119465943

IUPACN'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
SMILESCCNC(=O)CCCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C15H24N4O4S/c1-2-17-14(20)7-4-8-15(21)19-12-5-3-6-13(11-12)24(22,23)18-10-9-16/h3,5-6,11,18H,2,4,7-10,16H2,1H3,(H,17,20)(H,19,21)
InChIKeyNNIICIFVOANUHV-UHFFFAOYSA-N
MW356.45 g/mol
LogP0.17
Rot. Bonds10

About N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide

N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide (PubChem CID 119465943) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide.

Molecular Properties

Compound NameN'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
PubChem CID119465943
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC NameN'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
SMILESCCNC(=O)CCCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C15H24N4O4S/c1-2-17-14(20)7-4-8-15(21)19-12-5-3-6-13(11-12)24(22,23)18-10-9-16/h3,5-6,11,18H,2,4,7-10,16H2,1H3,(H,17,20)(H,19,21)
InChIKeyNNIICIFVOANUHV-UHFFFAOYSA-N
XLogP0.17
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]hex-5-enamide
CID 119465969
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-prop-2-enoxybutanamide
CID 119465611
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119465372
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
CID 119466086
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride
CID 119465624
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 119260164
N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 119465293
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride
CID 119465426
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 119465473
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide?
The IUPAC name of N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide (CID 119465943) is N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide.
What is the SMILES notation for N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide?
The canonical SMILES for N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide is CCNC(=O)CCCC(=O)Nc1cccc(S(=O)(=O)NCCN)c1.
What is the InChIKey of N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide?
The InChIKey is NNIICIFVOANUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-2-17-14(20)7-4-8-15(21)19-12-5-3-6-13(11-12)24(22,23)18-10-9-16/h3,5-6,11,18H,2,4,7-10,16H2,1H3,(H,17,20)(H,19,21).
What are the key properties of N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide?
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide has a molecular weight of 356.45 g/mol, XLogP of 0.17, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide is sourced from PubChem (CID 119465943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).