N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride

C18H24ClN3O3S — CID 119501867

IUPACN-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride
SMILESCNCCNC(=O)c1cccc(S(=O)(=O)NC(C)c2ccccc2)c1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-14(15-7-4-3-5-8-15)21-25(23,24)17-10-6-9-16(13-17)18(22)20-12-11-19-2;/h3-10,13-14,19,21H,11-12H2,1-2H3,(H,20,22);1H
InChIKeyOFSHQBHVONSGAX-UHFFFAOYSA-N
MW397.93 g/mol
LogP2.10
Rot. Bonds8

About N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride

N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119501867) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride
PubChem CID119501867
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC NameN-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride
SMILESCNCCNC(=O)c1cccc(S(=O)(=O)NC(C)c2ccccc2)c1.Cl
InChIInChI=1S/C18H23N3O3S.ClH/c1-14(15-7-4-3-5-8-15)21-25(23,24)17-10-6-9-16(13-17)18(22)20-12-11-19-2;/h3-10,13-14,19,21H,11-12H2,1-2H3,(H,20,22);1H
InChIKeyOFSHQBHVONSGAX-UHFFFAOYSA-N
XLogP2.10
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 109064219
N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 120655257
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
N-(2-fluorophenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064640
N-(oxolan-2-ylmethyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109063927
N-[(4-cyanophenyl)methyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 78852030
N-(2-methylphenyl)-3-(1-phenylethylsulfamoyl)benzamide
CID 109064636
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
3-(1-phenylethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119451588
N-(3-aminopropyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119408016
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride (CID 119501867) is N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride is CNCCNC(=O)c1cccc(S(=O)(=O)NC(C)c2ccccc2)c1.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is OFSHQBHVONSGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.ClH/c1-14(15-7-4-3-5-8-15)21-25(23,24)17-10-6-9-16(13-17)18(22)20-12-11-19-2;/h3-10,13-14,19,21H,11-12H2,1-2H3,(H,20,22);1H.
What are the key properties of N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride?
N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 397.93 g/mol, XLogP of 2.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119501867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).