N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

C22H28N2O4S — CID 93487370

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-17(19-10-12-21(28-2)13-11-19)23-22(25)20-8-6-18(7-9-20)16-29(26,27)24-14-4-3-5-15-24/h6-13,17H,3-5,14-16H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeyNVEXQQIUVUZVPX-QGZVFWFLSA-N
MW416.54 g/mol
LogP3.50
Rot. Bonds7

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 93487370) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID93487370
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O4S/c1-17(19-10-12-21(28-2)13-11-19)23-22(25)20-8-6-18(7-9-20)16-29(26,27)24-14-4-3-5-15-24/h6-13,17H,3-5,14-16H2,1-2H3,(H,23,25)/t17-/m1/s1
InChIKeyNVEXQQIUVUZVPX-QGZVFWFLSA-N
XLogP3.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43909251
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
N-[1-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 53281706
N-[2-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99959532
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 97267629
N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969618
N-[(1R)-1-(4-methylphenyl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969605
N-[1-(4-methylphenyl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 132664899
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 94019166
1-[(4-fluorophenyl)methylsulfonyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 92686091

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 93487370) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is COc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is NVEXQQIUVUZVPX-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-17(19-10-12-21(28-2)13-11-19)23-22(25)20-8-6-18(7-9-20)16-29(26,27)24-14-4-3-5-15-24/h6-13,17H,3-5,14-16H2,1-2H3,(H,23,25)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 416.54 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 93487370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).