N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide

C21H27N3O5S — CID 35995593

IUPACN-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H27N3O5S/c1-5-24(6-2)30(28,29)17-7-8-19(25)18(12-17)23-20(26)13-22-21(27)16-10-14(3)9-15(4)11-16/h7-12,25H,5-6,13H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyNDGXVQKOHSBIBM-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.41
Rot. Bonds8

About N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 35995593) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID35995593
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H27N3O5S/c1-5-24(6-2)30(28,29)17-7-8-19(25)18(12-17)23-20(26)13-22-21(27)16-10-14(3)9-15(4)11-16/h7-12,25H,5-6,13H2,1-4H3,(H,22,27)(H,23,26)
InChIKeyNDGXVQKOHSBIBM-UHFFFAOYSA-N
XLogP2.41
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
CID 25486173
4-(diethylsulfamoyl)-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 9341770
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-thiophen-3-ylacetamide
CID 17421204
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dimethylbenzamide
CID 35993068
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7392316
5-(diethylsulfamoyl)-2-fluoro-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 46555537
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-(furan-2-yl)propanamide
CID 17393633
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
2-[(4-chlorophenyl)methylsulfanyl]-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]acetamide
CID 55464247
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide
CID 3615295

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 35995593) is N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is NDGXVQKOHSBIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-5-24(6-2)30(28,29)17-7-8-19(25)18(12-17)23-20(26)13-22-21(27)16-10-14(3)9-15(4)11-16/h7-12,25H,5-6,13H2,1-4H3,(H,22,27)(H,23,26).
What are the key properties of N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 433.53 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(diethylsulfamoyl)-2-hydroxyanilino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 35995593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).