4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide

C23H32N4O5S — CID 55918830

IUPAC4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C23H32N4O5S/c1-7-23(2,3)26-22(29)16-8-10-17(11-9-16)24-15-21(28)25-18-12-13-19(32-6)20(14-18)33(30,31)27(4)5/h8-14,24H,7,15H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyYHSNBMBVIFRPOL-UHFFFAOYSA-N
MW476.60 g/mol
LogP2.91
Rot. Bonds10

About 4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide

4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide (PubChem CID 55918830) has the molecular formula C23H32N4O5S and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
PubChem CID55918830
Molecular FormulaC23H32N4O5S
Molecular Weight476.60 g/mol
Exact Mass476.21
IUPAC Name4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1
InChIInChI=1S/C23H32N4O5S/c1-7-23(2,3)26-22(29)16-8-10-17(11-9-16)24-15-21(28)25-18-12-13-19(32-6)20(14-18)33(30,31)27(4)5/h8-14,24H,7,15H2,1-6H3,(H,25,28)(H,26,29)
InChIKeyYHSNBMBVIFRPOL-UHFFFAOYSA-N
XLogP2.91
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
4-[[2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]acetyl]amino]-N-methylbenzamide
CID 25333324
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,4-dimethoxybenzamide
CID 9106584
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
CID 24658780
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-propan-2-ylbenzamide
CID 9106497
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(3-nitroanilino)acetamide
CID 46537107
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 55535495
2-(1,2-dihydroacenaphthylen-5-ylamino)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 55470342
5-bromo-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyridine-3-carboxamide
CID 9106525
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-methyl-4-nitrobenzamide
CID 9106568
4-chloro-2-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 55898309

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide (CID 55918830) is 4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1.
What is the InChIKey of 4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is YHSNBMBVIFRPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S/c1-7-23(2,3)26-22(29)16-8-10-17(11-9-16)24-15-21(28)25-18-12-13-19(32-6)20(14-18)33(30,31)27(4)5/h8-14,24H,7,15H2,1-6H3,(H,25,28)(H,26,29).
What are the key properties of 4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide?
4-[[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 476.60 g/mol, XLogP of 2.91, 10 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-methoxyanilino]-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 55918830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).