3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide

C18H21N3O6S — CID 55783314

IUPAC3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H21N3O6S/c1-21(2)28(24,25)16-10-12(6-8-15(16)27-4)18(23)20-13-9-11(17(19)22)5-7-14(13)26-3/h5-10H,1-4H3,(H2,19,22)(H,20,23)
InChIKeyNHDGEGXPQKXOOF-UHFFFAOYSA-N
MW407.45 g/mol
LogP1.31
Rot. Bonds7

About 3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide

3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide (PubChem CID 55783314) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is 3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide.

Molecular Properties

Compound Name3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide
PubChem CID55783314
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC Name3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H21N3O6S/c1-21(2)28(24,25)16-10-12(6-8-15(16)27-4)18(23)20-13-9-11(17(19)22)5-7-14(13)26-3/h5-10H,1-4H3,(H2,19,22)(H,20,23)
InChIKeyNHDGEGXPQKXOOF-UHFFFAOYSA-N
XLogP1.31
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-carbamoyl-2-methoxyphenyl)-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 55783419
3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 17027721
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 55670093
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26094922
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 45374065
3-(dimethylsulfamoyl)-4-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 18166162
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
3-(dimethylsulfamoyl)-4-methoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 26413572
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide?
The IUPAC name of 3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide (CID 55783314) is 3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide.
What is the SMILES notation for 3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide?
The canonical SMILES for 3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide is COc1ccc(C(N)=O)cc1NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide?
The InChIKey is NHDGEGXPQKXOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-21(2)28(24,25)16-10-12(6-8-15(16)27-4)18(23)20-13-9-11(17(19)22)5-7-14(13)26-3/h5-10H,1-4H3,(H2,19,22)(H,20,23).
What are the key properties of 3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide?
3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide has a molecular weight of 407.45 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methoxybenzamide is sourced from PubChem (CID 55783314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).