N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide

C23H31N3O5S — CID 58596001

IUPACN-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCN(S(=O)(=O)NC[C@H](C)O)CC1
InChIInChI=1S/C23H31N3O5S/c1-18(27)16-25-32(29,30)26-14-12-23(13-15-26,19-8-4-3-5-9-19)17-24-22(28)20-10-6-7-11-21(20)31-2/h3-11,18,25,27H,12-17H2,1-2H3,(H,24,28)/t18-/m0/s1
InChIKeyQHIGMWPQRHHJSI-SFHVURJKSA-N
MW461.58 g/mol
LogP1.67
Rot. Bonds9

About N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide

N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide (PubChem CID 58596001) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
PubChem CID58596001
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC NameN-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCN(S(=O)(=O)NC[C@H](C)O)CC1
InChIInChI=1S/C23H31N3O5S/c1-18(27)16-25-32(29,30)26-14-12-23(13-15-26,19-8-4-3-5-9-19)17-24-22(28)20-10-6-7-11-21(20)31-2/h3-11,18,25,27H,12-17H2,1-2H3,(H,24,28)/t18-/m0/s1
InChIKeyQHIGMWPQRHHJSI-SFHVURJKSA-N
XLogP1.67
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(1-hydroxypropan-2-ylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22241040
2-methoxy-N-[[1-[[(2R)-oxolan-2-yl]methylsulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 58596000
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
N-[[1-[(1-cyclohexyl-3-hydroxypropan-2-yl)sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22240612
2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 143258720
acetylene;2-methoxy-N-[(1-phenylcyclohexyl)methyl]benzamide;N-methylmorpholine-4-sulfonamide
CID 142271452
5-chloro-2-methoxy-N-[(4-phenyl-1-sulfamoylpiperidin-4-yl)methyl]benzamide
CID 22241034
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
N-[[4-(3-fluorophenyl)-1-sulfamoylazepan-4-yl]methyl]-2-methoxybenzamide
CID 23600982
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
N-[[1-(N'-cyclopropyl-N-methylsulfonylcarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 23600905
phenyl N-cyano-4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboximidate
CID 89126629

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide (CID 58596001) is N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC1(c2ccccc2)CCN(S(=O)(=O)NC[C@H](C)O)CC1.
What is the InChIKey of N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide?
The InChIKey is QHIGMWPQRHHJSI-SFHVURJKSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-18(27)16-25-32(29,30)26-14-12-23(13-15-26,19-8-4-3-5-9-19)17-24-22(28)20-10-6-7-11-21(20)31-2/h3-11,18,25,27H,12-17H2,1-2H3,(H,24,28)/t18-/m0/s1.
What are the key properties of N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide?
N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide has a molecular weight of 461.58 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 58596001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).