2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide

C23H31N3O3S — CID 133224819

IUPAC2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
SMILESCC1CCCN(c2ccc(C(C)NC(=O)CN(C)S(=O)(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C23H31N3O3S/c1-18-8-7-15-26(16-18)21-13-11-20(12-14-21)19(2)24-23(27)17-25(3)30(28,29)22-9-5-4-6-10-22/h4-6,9-14,18-19H,7-8,15-17H2,1-3H3,(H,24,27)
InChIKeyXGSSUILPRWXDAF-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.42
Rot. Bonds7

About 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide

2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide (PubChem CID 133224819) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
PubChem CID133224819
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
SMILESCC1CCCN(c2ccc(C(C)NC(=O)CN(C)S(=O)(=O)c3ccccc3)cc2)C1
InChIInChI=1S/C23H31N3O3S/c1-18-8-7-15-26(16-18)21-13-11-20(12-14-21)19(2)24-23(27)17-25(3)30(28,29)22-9-5-4-6-10-22/h4-6,9-14,18-19H,7-8,15-17H2,1-3H3,(H,24,27)
InChIKeyXGSSUILPRWXDAF-UHFFFAOYSA-N
XLogP3.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125059439
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125059441
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43892799
2-(N-(4-methylphenyl)sulfonylanilino)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43893613
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43893386
2-[benzyl(methylsulfonyl)amino]-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125064134
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43893975
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43892886
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 133265243
3-(dimethylsulfamoyl)-N-[(1S)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 100626425
3-(dimethylsulfamoyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 125076333
3-(dimethylsulfamoyl)-N-[(1R)-1-[4-[(3R)-3-methylpiperidin-1-yl]phenyl]ethyl]benzamide
CID 100626406

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide (CID 133224819) is 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide is CC1CCCN(c2ccc(C(C)NC(=O)CN(C)S(=O)(=O)c3ccccc3)cc2)C1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
The InChIKey is XGSSUILPRWXDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-18-8-7-15-26(16-18)21-13-11-20(12-14-21)19(2)24-23(27)17-25(3)30(28,29)22-9-5-4-6-10-22/h4-6,9-14,18-19H,7-8,15-17H2,1-3H3,(H,24,27).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide has a molecular weight of 429.59 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 133224819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).