4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride

C15H24ClN3O4S — CID 119503940

IUPAC4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCNCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-12-3-4-13(15(19)17-6-5-16-2)11-14(12)23(20,21)18-7-9-22-10-8-18;/h3-4,11,16H,5-10H2,1-2H3,(H,17,19);1H
InChIKeyPBECAWZUWRVEMC-UHFFFAOYSA-N
MW377.89 g/mol
LogP0.39
Rot. Bonds6

About 4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride

4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride (PubChem CID 119503940) has the molecular formula C15H24ClN3O4S and a molecular weight of 377.89 g/mol. Its IUPAC name is 4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
PubChem CID119503940
Molecular FormulaC15H24ClN3O4S
Molecular Weight377.89 g/mol
Exact Mass377.12
IUPAC Name4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCNCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1.Cl
InChIInChI=1S/C15H23N3O4S.ClH/c1-12-3-4-13(15(19)17-6-5-16-2)11-14(12)23(20,21)18-7-9-22-10-8-18;/h3-4,11,16H,5-10H2,1-2H3,(H,17,19);1H
InChIKeyPBECAWZUWRVEMC-UHFFFAOYSA-N
XLogP0.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 27173584
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26795823
N-[3-(3,4-dichlorophenyl)propyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60583878
N-(1-adamantylmethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26202942
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
4-methyl-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9472673
N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598
4-methyl-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733202
4-methyl-3-morpholin-4-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2337108
N-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610870
N-(2-fluorophenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2710293
N-(2-hydroxyphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 23904636

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of 4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride (CID 119503940) is 4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for 4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride is CNCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1.Cl.
What is the InChIKey of 4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The InChIKey is PBECAWZUWRVEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S.ClH/c1-12-3-4-13(15(19)17-6-5-16-2)11-14(12)23(20,21)18-7-9-22-10-8-18;/h3-4,11,16H,5-10H2,1-2H3,(H,17,19);1H.
What are the key properties of 4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(methylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119503940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).