3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride

C16H28ClN3O3S — CID 119433491

IUPAC3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCCNC)ccc1C.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-5-19(6-2)23(21,22)15-12-14(9-8-13(15)3)16(20)18-11-7-10-17-4;/h8-9,12,17H,5-7,10-11H2,1-4H3,(H,18,20);1H
InChIKeyVUTMSBVOPNKZAB-UHFFFAOYSA-N
MW377.94 g/mol
LogP1.79
Rot. Bonds9

About 3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride

3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 119433491) has the molecular formula C16H28ClN3O3S and a molecular weight of 377.94 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
PubChem CID119433491
Molecular FormulaC16H28ClN3O3S
Molecular Weight377.94 g/mol
Exact Mass377.15
IUPAC Name3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCCCNC)ccc1C.Cl
InChIInChI=1S/C16H27N3O3S.ClH/c1-5-19(6-2)23(21,22)15-12-14(9-8-13(15)3)16(20)18-11-7-10-17-4;/h8-9,12,17H,5-7,10-11H2,1-4H3,(H,18,20);1H
InChIKeyVUTMSBVOPNKZAB-UHFFFAOYSA-N
XLogP1.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.94
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylsulfamoyl)-N-(3-ethoxypropyl)-4-methylbenzamide
CID 27680531
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3-(diethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzamide
CID 27231281
N,N-diethyl-2-methyl-5-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
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3-(diethylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methylbenzamide
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3-(dimethylsulfamoyl)-4-methyl-N-pentylbenzamide
CID 110295894
3-(diethylsulfamoyl)-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728860
3-(diethylsulfamoyl)-4-methyl-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 49396788
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
N-(1-aminohexan-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119668137
3-(diethylsulfamoyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 36695261
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CID 119537403

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride (CID 119433491) is 3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride is CCN(CC)S(=O)(=O)c1cc(C(=O)NCCCNC)ccc1C.Cl.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is VUTMSBVOPNKZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S.ClH/c1-5-19(6-2)23(21,22)15-12-14(9-8-13(15)3)16(20)18-11-7-10-17-4;/h8-9,12,17H,5-7,10-11H2,1-4H3,(H,18,20);1H.
What are the key properties of 3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride?
3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 377.94 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 119433491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).