3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

C19H31N3O3S — CID 50945337

IUPAC3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1cc(C(=O)NCCCN2CCC(C)CC2)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C19H31N3O3S/c1-15-8-12-22(13-9-15)11-5-10-20-19(23)17-6-7-18(16(2)14-17)21(3)26(4,24)25/h6-7,14-15H,5,8-13H2,1-4H3,(H,20,23)
InChIKeyWRVAFYSHPYJLPZ-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.24
Rot. Bonds7

About 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide

3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (PubChem CID 50945337) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
PubChem CID50945337
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
SMILESCc1cc(C(=O)NCCCN2CCC(C)CC2)ccc1N(C)S(C)(=O)=O
InChIInChI=1S/C19H31N3O3S/c1-15-8-12-22(13-9-15)11-5-10-20-19(23)17-6-7-18(16(2)14-17)21(3)26(4,24)25/h6-7,14-15H,5,8-13H2,1-4H3,(H,20,23)
InChIKeyWRVAFYSHPYJLPZ-UHFFFAOYSA-N
XLogP2.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
4-bromo-3-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 81295151
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274
N-[3-(4-methylpiperidin-1-yl)propyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35415769
4-[2-(methanesulfonamido)ethyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 30541364
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
N-butyl-4-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 50945543
3-fluoro-4-methoxy-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 35416969
4-(cyclopropylsulfamoyl)-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 18150983
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]benzamide
CID 55724690
1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 93194083

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The IUPAC name of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide (CID 50945337) is 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is Cc1cc(C(=O)NCCCN2CCC(C)CC2)ccc1N(C)S(C)(=O)=O.
What is the InChIKey of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
The InChIKey is WRVAFYSHPYJLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-15-8-12-22(13-9-15)11-5-10-20-19(23)17-6-7-18(16(2)14-17)21(3)26(4,24)25/h6-7,14-15H,5,8-13H2,1-4H3,(H,20,23).
What are the key properties of 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide?
3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide has a molecular weight of 381.54 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide is sourced from PubChem (CID 50945337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).