4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide

C22H27N3O4S — CID 75447719

IUPAC4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CC2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O4S/c1-17(26)19-7-6-10-21(15-19)30(28,29)24(2)16-18-11-13-25(14-12-18)22(27)23-20-8-4-3-5-9-20/h3-10,15,18H,11-14,16H2,1-2H3,(H,23,27)
InChIKeyRLVNLGHNLXTIKT-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.45
Rot. Bonds6

About 4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide

4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 75447719) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
PubChem CID75447719
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)CC2CCN(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C22H27N3O4S/c1-17(26)19-7-6-10-21(15-19)30(28,29)24(2)16-18-11-13-25(14-12-18)22(27)23-20-8-4-3-5-9-20/h3-10,15,18H,11-14,16H2,1-2H3,(H,23,27)
InChIKeyRLVNLGHNLXTIKT-UHFFFAOYSA-N
XLogP3.45
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63274742
N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115647557
N-(3-acetylphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64599067
N-(3-acetylphenyl)-4-[3-hydroxypropyl(methyl)amino]piperidine-1-carboxamide
CID 71931011
N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide
CID 51102257
3-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]benzoic acid
CID 63980183
3-acetyl-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630402
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]benzenecarbothioamide
CID 63273988
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
N-[4-[(3-acetylphenyl)sulfamoyl]phenyl]piperidine-1-carboxamide
CID 2985508

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide (CID 75447719) is 4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide is CC(=O)c1cccc(S(=O)(=O)N(C)CC2CCN(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is RLVNLGHNLXTIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-17(26)19-7-6-10-21(15-19)30(28,29)24(2)16-18-11-13-25(14-12-18)22(27)23-20-8-4-3-5-9-20/h3-10,15,18H,11-14,16H2,1-2H3,(H,23,27).
What are the key properties of 4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide?
4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-acetylphenyl)sulfonyl-methylamino]methyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 75447719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).