N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide

C24H25N3O6S — CID 55723806

IUPACN-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccccc3NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C24H25N3O6S/c1-32-21-8-5-7-19(14-21)26-23(28)16-33-20-12-10-17(11-13-20)24(29)25-15-18-6-3-4-9-22(18)27-34(2,30)31/h3-14,27H,15-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyNEWIXCLBDUHTCQ-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.01
Rot. Bonds10

About N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide

N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 55723806) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
PubChem CID55723806
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccccc3NS(C)(=O)=O)cc2)c1
InChIInChI=1S/C24H25N3O6S/c1-32-21-8-5-7-19(14-21)26-23(28)16-33-20-12-10-17(11-13-20)24(29)25-15-18-6-3-4-9-22(18)27-34(2,30)31/h3-14,27H,15-16H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyNEWIXCLBDUHTCQ-UHFFFAOYSA-N
XLogP3.01
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-(2-phenoxyethyl)benzamide
CID 27758187
N-(2-benzylphenyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 26880186
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55589061
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55992738
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663425
N-[2-(3-chlorophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 27838613
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 55693837
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate
CID 55776713
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide (CID 55723806) is N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide is COc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccccc3NS(C)(=O)=O)cc2)c1.
What is the InChIKey of N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
The InChIKey is NEWIXCLBDUHTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-32-21-8-5-7-19(14-21)26-23(28)16-33-20-12-10-17(11-13-20)24(29)25-15-18-6-3-4-9-22(18)27-34(2,30)31/h3-14,27H,15-16H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide?
N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 483.55 g/mol, XLogP of 3.01, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55723806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).