3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide

C21H22N2O4S — CID 99589028

IUPAC3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cccc3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H22N2O4S/c1-23(2)28(25,26)20-13-16(11-12-19(20)27-3)21(24)22-14-17-9-6-8-15-7-4-5-10-18(15)17/h4-13H,14H2,1-3H3,(H,22,24)
InChIKeyLFBXCGSFYSKRRG-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.03
Rot. Bonds6

About 3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide

3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide (PubChem CID 99589028) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide
PubChem CID99589028
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)NCc2cccc3ccccc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H22N2O4S/c1-23(2)28(25,26)20-13-16(11-12-19(20)27-3)21(24)22-14-17-9-6-8-15-7-4-5-10-18(15)17/h4-13H,14H2,1-3H3,(H,22,24)
InChIKeyLFBXCGSFYSKRRG-UHFFFAOYSA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(2,3-dimethoxyphenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 55595810
N-[(4-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 8713091
N-[(4-cyanophenyl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46591115
3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 46443053
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-sulfamoylbenzamide
CID 36717267
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 46420991
3-(dimethylsulfamoyl)-4-methoxy-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]benzamide
CID 46442346
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 48542375

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide (CID 99589028) is 3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide is COc1ccc(C(=O)NCc2cccc3ccccc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide?
The InChIKey is LFBXCGSFYSKRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-23(2)28(25,26)20-13-16(11-12-19(20)27-3)21(24)22-14-17-9-6-8-15-7-4-5-10-18(15)17/h4-13H,14H2,1-3H3,(H,22,24).
What are the key properties of 3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide?
3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide has a molecular weight of 398.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide is sourced from PubChem (CID 99589028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).