4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide

C20H27N3O3S — CID 92682960

IUPAC4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide
SMILESCc1cccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C20H27N3O3S/c1-16-7-5-8-17(15-16)9-6-14-21-20(24)18-10-12-19(13-11-18)23(4)27(25,26)22(2)3/h5,7-8,10-13,15H,6,9,14H2,1-4H3,(H,21,24)
InChIKeySZURIPYPSNTCHS-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.60
Rot. Bonds8

About 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide

4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide (PubChem CID 92682960) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide
PubChem CID92682960
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide
SMILESCc1cccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C20H27N3O3S/c1-16-7-5-8-17(15-16)9-6-14-21-20(24)18-10-12-19(13-11-18)23(4)27(25,26)22(2)3/h5,7-8,10-13,15H,6,9,14H2,1-4H3,(H,21,24)
InChIKeySZURIPYPSNTCHS-UHFFFAOYSA-N
XLogP2.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chlorophenyl)propyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92663766
4-[dimethylsulfamoyl(methyl)amino]-N-[3-(4-ethoxy-3-methoxyphenyl)propyl]benzamide
CID 92663771
4-[dimethylsulfamoyl(methyl)amino]-N-[3-(furan-2-yl)propyl]benzamide
CID 53283301
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
N-[3-(3-methylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 84533264
N-[2-(cyclohexen-1-yl)ethyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 92664163
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[3-(3-methylphenyl)propyl]butanamide
CID 100641683
4-[dimethylsulfamoyl(methyl)amino]-N-(2-phenylsulfanylethyl)benzamide
CID 92664129
3-chloro-4-methoxy-N-[3-(3-methylphenyl)propyl]benzamide
CID 84533270
N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283060
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3-methylphenyl)propyl]benzamide
CID 100585287
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide (CID 92682960) is 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide is Cc1cccc(CCCNC(=O)c2ccc(N(C)S(=O)(=O)N(C)C)cc2)c1.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide?
The InChIKey is SZURIPYPSNTCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-16-7-5-8-17(15-16)9-6-14-21-20(24)18-10-12-19(13-11-18)23(4)27(25,26)22(2)3/h5,7-8,10-13,15H,6,9,14H2,1-4H3,(H,21,24).
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide?
4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide has a molecular weight of 389.52 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]-N-[3-(3-methylphenyl)propyl]benzamide is sourced from PubChem (CID 92682960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).