N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide

C21H26N2O5S — CID 96517593

IUPACN-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@H]2O)ccc1C
InChIInChI=1S/C21H26N2O5S/c1-14-10-11-15(21(25)22-13-16-6-5-8-18(16)24)12-20(14)29(26,27)23-17-7-3-4-9-19(17)28-2/h3-4,7,9-12,16,18,23-24H,5-6,8,13H2,1-2H3,(H,22,25)/t16-,18-/m0/s1
InChIKeyDMDBXIKAZZFOTD-WMZOPIPTSA-N
MW418.52 g/mol
LogP2.70
Rot. Bonds7

About N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide

N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide (PubChem CID 96517593) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
PubChem CID96517593
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@H]2O)ccc1C
InChIInChI=1S/C21H26N2O5S/c1-14-10-11-15(21(25)22-13-16-6-5-8-18(16)24)12-20(14)29(26,27)23-17-7-3-4-9-19(17)28-2/h3-4,7,9-12,16,18,23-24H,5-6,8,13H2,1-2H3,(H,22,25)/t16-,18-/m0/s1
InChIKeyDMDBXIKAZZFOTD-WMZOPIPTSA-N
XLogP2.70
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364363
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55954729
N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2632905
N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 3257461
N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2687808
N-cyclopentyl-4-fluoro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 9164199
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide
CID 55659385
4-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 46652291
5-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]-N-(2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 2336291
3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The IUPAC name of N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide (CID 96517593) is N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide.
What is the SMILES notation for N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The canonical SMILES for N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[C@@H]2O)ccc1C.
What is the InChIKey of N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
The InChIKey is DMDBXIKAZZFOTD-WMZOPIPTSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-14-10-11-15(21(25)22-13-16-6-5-8-18(16)24)12-20(14)29(26,27)23-17-7-3-4-9-19(17)28-2/h3-4,7,9-12,16,18,23-24H,5-6,8,13H2,1-2H3,(H,22,25)/t16-,18-/m0/s1.
What are the key properties of N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide?
N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide has a molecular weight of 418.52 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide is sourced from PubChem (CID 96517593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).