N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide

C20H25NO6S — CID 55852779

IUPACN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C20H25NO6S/c1-13(2)28(24,25)16-8-5-14(6-9-16)20(23)21-12-18(22)17-11-15(26-3)7-10-19(17)27-4/h5-11,13,18,22H,12H2,1-4H3,(H,21,23)
InChIKeyIVDHKSKDISEVHS-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.35
Rot. Bonds8

About N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide

N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide (PubChem CID 55852779) has the molecular formula C20H25NO6S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide
PubChem CID55852779
Molecular FormulaC20H25NO6S
Molecular Weight407.49 g/mol
Exact Mass407.14
IUPAC NameN-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C20H25NO6S/c1-13(2)28(24,25)16-8-5-14(6-9-16)20(23)21-12-18(22)17-11-15(26-3)7-10-19(17)27-4/h5-11,13,18,22H,12H2,1-4H3,(H,21,23)
InChIKeyIVDHKSKDISEVHS-UHFFFAOYSA-N
XLogP2.35
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55654076
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55654385
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 9194269
N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide
CID 55761276
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
3-(cyanomethyl)-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 60508902
4-butoxy-3-methoxy-N'-(4-propan-2-ylsulfonylbenzoyl)benzohydrazide
CID 46490716
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508847
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 55408572
1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119719575
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide (CID 55852779) is N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide is COc1ccc(OC)c(C(O)CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1.
What is the InChIKey of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide?
The InChIKey is IVDHKSKDISEVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6S/c1-13(2)28(24,25)16-8-5-14(6-9-16)20(23)21-12-18(22)17-11-15(26-3)7-10-19(17)27-4/h5-11,13,18,22H,12H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide?
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide has a molecular weight of 407.49 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 55852779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).