4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide

C19H23N3O5S — CID 8966511

IUPAC4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)cc1
InChIInChI=1S/C19H23N3O5S/c1-20-18(23)14-7-5-13(6-8-14)12-22(3)19(24)15-9-10-16(27-4)17(11-15)28(25,26)21-2/h5-11,21H,12H2,1-4H3,(H,20,23)
InChIKeyNAQRLNBHAUTULX-UHFFFAOYSA-N
MW405.48 g/mol
LogP1.24
Rot. Bonds7

About 4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide

4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide (PubChem CID 8966511) has the molecular formula C19H23N3O5S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide
PubChem CID8966511
Molecular FormulaC19H23N3O5S
Molecular Weight405.48 g/mol
Exact Mass405.14
IUPAC Name4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)cc1
InChIInChI=1S/C19H23N3O5S/c1-20-18(23)14-7-5-13(6-8-14)12-22(3)19(24)15-9-10-16(27-4)17(11-15)28(25,26)21-2/h5-11,21H,12H2,1-4H3,(H,20,23)
InChIKeyNAQRLNBHAUTULX-UHFFFAOYSA-N
XLogP1.24
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 38038012
4-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9182996
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
4-methoxy-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(methylsulfamoyl)benzamide
CID 9493691
4-[[(2-methoxyphenyl)sulfonyl-methylamino]methyl]-N-methylbenzamide
CID 51249500
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 27833083
methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate
CID 55513170
4-[[[4-[methoxy(methyl)sulfamoyl]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 26722330
3-[benzyl(methyl)sulfamoyl]-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 31986975
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
CID 8967371
4-[[3-(3,4-dimethoxyphenyl)propanoyl-methylamino]methyl]-N-methylbenzamide
CID 8965694

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide (CID 8966511) is 4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide is CNC(=O)c1ccc(CN(C)C(=O)c2ccc(OC)c(S(=O)(=O)NC)c2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is NAQRLNBHAUTULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S/c1-20-18(23)14-7-5-13(6-8-14)12-22(3)19(24)15-9-10-16(27-4)17(11-15)28(25,26)21-2/h5-11,21H,12H2,1-4H3,(H,20,23).
What are the key properties of 4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide?
4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 405.48 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 8966511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).