1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide

C22H27N3O5S — CID 1092909

IUPAC1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-24(15-17-5-3-2-4-6-17)31(28,29)20-9-7-19(8-10-20)30-16-21(26)25-13-11-18(12-14-25)22(23)27/h2-10,18H,11-16H2,1H3,(H2,23,27)
InChIKeyXPCJSRIOTQLSNJ-UHFFFAOYSA-N
MW445.54 g/mol
LogP1.61
Rot. Bonds8

About 1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide

1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide (PubChem CID 1092909) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is 1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide
PubChem CID1092909
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Name1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C22H27N3O5S/c1-24(15-17-5-3-2-4-6-17)31(28,29)20-9-7-19(8-10-20)30-16-21(26)25-13-11-18(12-14-25)22(23)27/h2-10,18H,11-16H2,1H3,(H2,23,27)
InChIKeyXPCJSRIOTQLSNJ-UHFFFAOYSA-N
XLogP1.61
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxy-4-(morpholin-4-yl)butanamide
CID 10552056
1-benzyl-4-(4-butoxyphenylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 9846418
N-[(2S)-3-[(3S)-3-benzyl-5-oxo-morpholin-4-yl]-2-hydroxy-propyl]-N-(cyclopentylmethyl)-4-methoxy-benzenesulfonamide
CID 474323
N-[(2S)-3-[(2R,5S)-2-allyl-5-benzyl-3-oxo-morpholin-4-yl]-2-hydroxy-propyl]-N-(cyclopentylmethyl)-4-methoxy-benzenesulfonamide
CID 16046180
Benzenesulfonamide, N-(cyclopentylmethyl)-N-[(2S)-2-hydroxy-3-[(2S,5S)-2-methyl-3-oxo-5-(phenylmethyl)-4-morpholinyl]propyl]-4-methoxy-
CID 16074379
Benzenesulfonamide, N-(cyclopentylmethyl)-N-[(2S)-2-hydroxy-3-[(2S,5S)-3-oxo-5-(phenylmethyl)-2-(2-propenyl)-4-morpholinyl]propyl]-4-methoxy-
CID 16074382
Benzenesulfonamide, N-[(2S)-3-[(2R,5S)-2-(2-aminoethyl)-3-oxo-5-(phenylmethyl)-4-morpholinyl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxy-
CID 16074387
2-Morpholinepropanamide, 4-[(2S)-3-[(cyclopentylmethyl)[(4-methoxyphenyl)sulfonyl]amino]-2-hydroxypropyl]-3-oxo-5-(phenylmethyl)-, (2R,5S)-
CID 16074390
morpholinone scaffold A
CID 23644804
Sms1-IN-1
CID 91938094
4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
CID 2291802
1-Benzyl-4-(4-but-2-ynyloxybenzenesulfonyl)piperdine-4-carboxylic acid hydroxyamide
CID 9803407

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide (CID 1092909) is 1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide?
The InChIKey is XPCJSRIOTQLSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-24(15-17-5-3-2-4-6-17)31(28,29)20-9-7-19(8-10-20)30-16-21(26)25-13-11-18(12-14-25)22(23)27/h2-10,18H,11-16H2,1H3,(H2,23,27).
What are the key properties of 1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide?
1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 1092909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).