3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide

C16H25N3O4S2 — CID 72885370

IUPAC3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide
SMILESCNC(=O)C(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCCSC)c1
InChIInChI=1S/C16H25N3O4S2/c1-12(15(20)17-2)19(3)25(22,23)14-8-5-7-13(11-14)16(21)18-9-6-10-24-4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyRQLLKPNXSNKGOZ-UHFFFAOYSA-N
MW387.53 g/mol
LogP0.92
Rot. Bonds9

About 3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide

3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide (PubChem CID 72885370) has the molecular formula C16H25N3O4S2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide
PubChem CID72885370
Molecular FormulaC16H25N3O4S2
Molecular Weight387.53 g/mol
Exact Mass387.13
IUPAC Name3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide
SMILESCNC(=O)C(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCCSC)c1
InChIInChI=1S/C16H25N3O4S2/c1-12(15(20)17-2)19(3)25(22,23)14-8-5-7-13(11-14)16(21)18-9-6-10-24-4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyRQLLKPNXSNKGOZ-UHFFFAOYSA-N
XLogP0.92
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 50.92
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

3-[methyl(propan-2-yl)sulfamoyl]-N-propylbenzamide
CID 30878906
N-(2-aminoethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119383832
3-[methyl(propan-2-yl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 26913083
N-[4-(4-chloroanilino)-4-oxobutyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55862340
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35415769
N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31719960
3-(dimethylsulfamoyl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzamide
CID 51196838
N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55711315
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 26861334
3-(5-methylhexylcarbamoyl)benzenesulfonyl chloride
CID 113287469
N-(2-amino-2-ethylbutyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 119641846
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide?
The IUPAC name of 3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide (CID 72885370) is 3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide?
The canonical SMILES for 3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide is CNC(=O)C(C)N(C)S(=O)(=O)c1cccc(C(=O)NCCCSC)c1.
What is the InChIKey of 3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide?
The InChIKey is RQLLKPNXSNKGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S2/c1-12(15(20)17-2)19(3)25(22,23)14-8-5-7-13(11-14)16(21)18-9-6-10-24-4/h5,7-8,11-12H,6,9-10H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of 3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide?
3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide has a molecular weight of 387.53 g/mol, XLogP of 0.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]-N-(3-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 72885370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).