N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide

C19H23NO6S — CID 110629557

IUPACN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide
SMILESCOc1cccc(C(O)CN(C)C(=O)c2ccc(OC)c(S(C)(=O)=O)c2)c1
InChIInChI=1S/C19H23NO6S/c1-20(12-16(21)13-6-5-7-15(10-13)25-2)19(22)14-8-9-17(26-3)18(11-14)27(4,23)24/h5-11,16,21H,12H2,1-4H3
InChIKeyPRGBTQUXWJQUQJ-UHFFFAOYSA-N
MW393.46 g/mol
LogP1.91
Rot. Bonds7

About N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide (PubChem CID 110629557) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide
PubChem CID110629557
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide
SMILESCOc1cccc(C(O)CN(C)C(=O)c2ccc(OC)c(S(C)(=O)=O)c2)c1
InChIInChI=1S/C19H23NO6S/c1-20(12-16(21)13-6-5-7-15(10-13)25-2)19(22)14-8-9-17(26-3)18(11-14)27(4,23)24/h5-11,16,21H,12H2,1-4H3
InChIKeyPRGBTQUXWJQUQJ-UHFFFAOYSA-N
XLogP1.91
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide
CID 110291255
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-3-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110629576
4-methoxy-3-methylsulfonyl-N,N-dipropylbenzamide
CID 110416415
1-[2-[ethylsulfamoyl(methyl)amino]-1-hydroxyethyl]-3-methoxybenzene
CID 110629589
5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 110308725
methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
CID 78966550
3-tert-butyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylimidazo[1,5-a]pyridine-1-carboxamide
CID 110629556
4-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]methyl]-N-methylbenzamide
CID 111379069
2,3,4-trifluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-nitrobenzamide
CID 110313641
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-phenylbenzamide
CID 110291119
4-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylbenzenesulfonamide
CID 110291005
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide (CID 110629557) is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide is COc1cccc(C(O)CN(C)C(=O)c2ccc(OC)c(S(C)(=O)=O)c2)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide?
The InChIKey is PRGBTQUXWJQUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-20(12-16(21)13-6-5-7-15(10-13)25-2)19(22)14-8-9-17(26-3)18(11-14)27(4,23)24/h5-11,16,21H,12H2,1-4H3.
What are the key properties of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide?
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide has a molecular weight of 393.46 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methoxy-N-methyl-3-methylsulfonylbenzamide is sourced from PubChem (CID 110629557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).