N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride

C16H25ClN4O5S — CID 119465990

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc(NC(=O)CCC(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N4O5S.ClH/c17-6-7-18-26(23,24)14-3-1-2-13(12-14)19-15(21)4-5-16(22)20-8-10-25-11-9-20;/h1-3,12,18H,4-11,17H2,(H,19,21);1H
InChIKeyDITLBDXTVFRZBN-UHFFFAOYSA-N
MW420.92 g/mol
LogP-0.08
Rot. Bonds8

About N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride

N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride (PubChem CID 119465990) has the molecular formula C16H25ClN4O5S and a molecular weight of 420.92 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
PubChem CID119465990
Molecular FormulaC16H25ClN4O5S
Molecular Weight420.92 g/mol
Exact Mass420.12
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc(NC(=O)CCC(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N4O5S.ClH/c17-6-7-18-26(23,24)14-3-1-2-13(12-14)19-15(21)4-5-16(22)20-8-10-25-11-9-20;/h1-3,12,18H,4-11,17H2,(H,19,21);1H
InChIKeyDITLBDXTVFRZBN-UHFFFAOYSA-N
XLogP-0.08
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 119465943
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 119465473
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
7-amino-N-(3-morpholin-4-ylsulfonylphenyl)heptanamide
CID 119671799
N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride (CID 119465990) is N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride is Cl.NCCNS(=O)(=O)c1cccc(NC(=O)CCC(=O)N2CCOCC2)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride?
The InChIKey is DITLBDXTVFRZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5S.ClH/c17-6-7-18-26(23,24)14-3-1-2-13(12-14)19-15(21)4-5-16(22)20-8-10-25-11-9-20;/h1-3,12,18H,4-11,17H2,(H,19,21);1H.
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride?
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride has a molecular weight of 420.92 g/mol, XLogP of -0.08, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119465990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).