4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide

C20H26N4O5S — CID 25333324

IUPAC4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H26N4O5S/c1-5-29-17-11-10-16(12-18(17)30(27,28)24(3)4)22-13-19(25)23-15-8-6-14(7-9-15)20(26)21-2/h6-12,22H,5,13H2,1-4H3,(H,21,26)(H,23,25)
InChIKeyLEDVRIQHHSAQOT-UHFFFAOYSA-N
MW434.52 g/mol
LogP1.75
Rot. Bonds9

About 4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide

4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide (PubChem CID 25333324) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
PubChem CID25333324
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC Name4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H26N4O5S/c1-5-29-17-11-10-16(12-18(17)30(27,28)24(3)4)22-13-19(25)23-15-8-6-14(7-9-15)20(26)21-2/h6-12,22H,5,13H2,1-4H3,(H,21,26)(H,23,25)
InChIKeyLEDVRIQHHSAQOT-UHFFFAOYSA-N
XLogP1.75
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
4-tert-butyl-N-[3-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-oxopropyl]benzamide
CID 26421713
2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-(ethylcarbamoyl)acetamide
CID 36587541
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide
CID 9470026
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]acetamide;hydrochloride
CID 119693192
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,3-diphenylpropanamide
CID 27831173
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 9470177
4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
CID 55918830
2-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 55565900
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide (CID 25333324) is 4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide is CCOc1ccc(NCC(=O)Nc2ccc(C(=O)NC)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide?
The InChIKey is LEDVRIQHHSAQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-5-29-17-11-10-16(12-18(17)30(27,28)24(3)4)22-13-19(25)23-15-8-6-14(7-9-15)20(26)21-2/h6-12,22H,5,13H2,1-4H3,(H,21,26)(H,23,25).
What are the key properties of 4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide?
4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide has a molecular weight of 434.52 g/mol, XLogP of 1.75, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 25333324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).