N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide

C19H23NO5S — CID 55761276

IUPACN-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide
SMILESCOc1cc(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc(OC)c1
InChIInChI=1S/C19H23NO5S/c1-13(2)26(22,23)18-7-5-15(6-8-18)19(21)20-12-14-9-16(24-3)11-17(10-14)25-4/h5-11,13H,12H2,1-4H3,(H,20,21)
InChIKeyUUJQGPWNNGVVPV-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.82
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide

N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide (PubChem CID 55761276) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide
PubChem CID55761276
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide
SMILESCOc1cc(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc(OC)c1
InChIInChI=1S/C19H23NO5S/c1-13(2)26(22,23)18-7-5-15(6-8-18)19(21)20-12-14-9-16(24-3)11-17(10-14)25-4/h5-11,13H,12H2,1-4H3,(H,20,21)
InChIKeyUUJQGPWNNGVVPV-UHFFFAOYSA-N
XLogP2.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
N-methyl-N-propan-2-yl-4-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]benzamide
CID 55760436
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55798141
N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46586668
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55758428
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-propan-2-ylsulfonylbenzamide
CID 46491168
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-4-propan-2-ylsulfonylbenzamide
CID 55852779
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
N-[(3,5-dimethoxyphenyl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110672503
4-(1,3-dihydroisoindol-2-yl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 141337108
N-[(6-methoxynaphthalen-2-yl)methyl]-4-sulfamoylbenzamide
CID 41287032

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide (CID 55761276) is N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide is COc1cc(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide?
The InChIKey is UUJQGPWNNGVVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-13(2)26(22,23)18-7-5-15(6-8-18)19(21)20-12-14-9-16(24-3)11-17(10-14)25-4/h5-11,13H,12H2,1-4H3,(H,20,21).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide?
N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide has a molecular weight of 377.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 55761276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).