N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide

C21H27N3O5S — CID 26243070

IUPACN-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(NC(C)=O)ccc2OC)ccc1C
InChIInChI=1S/C21H27N3O5S/c1-6-24(7-2)30(27,28)20-12-16(9-8-14(20)3)21(26)23-18-13-17(22-15(4)25)10-11-19(18)29-5/h8-13H,6-7H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyGCVAFNAKQBROFS-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.24
Rot. Bonds8

About N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide

N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide (PubChem CID 26243070) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
PubChem CID26243070
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(NC(C)=O)ccc2OC)ccc1C
InChIInChI=1S/C21H27N3O5S/c1-6-24(7-2)30(27,28)20-12-16(9-8-14(20)3)21(26)23-18-13-17(22-15(4)25)10-11-19(18)29-5/h8-13H,6-7H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyGCVAFNAKQBROFS-UHFFFAOYSA-N
XLogP3.24
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylsulfamoyl)-N-(2-methoxy-5-methylphenyl)-4-methylbenzamide
CID 26414114
N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119420241
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
N-[4-(diethylsulfamoyl)-2-methoxy-5-methylphenyl]acetamide
CID 14895987
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 4857711
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-[5-[[4-(diethylsulfamoyl)benzoyl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 46487202
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-methylbenzamide
CID 100701493
3-(diethylsulfamoyl)-N-(2-ethylsulfonylphenyl)-4-methoxybenzamide
CID 55613417
3-(diethylsulfamoyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzamide
CID 55595903
3-(diethylsulfamoyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-methylbenzamide
CID 26457205

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide (CID 26243070) is N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(NC(C)=O)ccc2OC)ccc1C.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
The InChIKey is GCVAFNAKQBROFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-6-24(7-2)30(27,28)20-12-16(9-8-14(20)3)21(26)23-18-13-17(22-15(4)25)10-11-19(18)29-5/h8-13H,6-7H2,1-5H3,(H,22,25)(H,23,26).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide?
N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide has a molecular weight of 433.53 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide is sourced from PubChem (CID 26243070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).