N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide

C23H23N3O5S — CID 55992738

IUPACN-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H23N3O5S/c1-16-11-12-17(13-21(16)26-32(2,29)30)23(28)25-19-9-6-10-20(14-19)31-15-22(27)24-18-7-4-3-5-8-18/h3-14,26H,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyKWSJHEIQORRVOV-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.64
Rot. Bonds8

About N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide

N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide (PubChem CID 55992738) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
PubChem CID55992738
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C23H23N3O5S/c1-16-11-12-17(13-21(16)26-32(2,29)30)23(28)25-19-9-6-10-20(14-19)31-15-22(27)24-18-7-4-3-5-8-18/h3-14,26H,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyKWSJHEIQORRVOV-UHFFFAOYSA-N
XLogP3.64
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 55902095
N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 18870161
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
N-(4-ethoxyphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41465561
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55902221
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
N-(4-fluorophenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 19062500
tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55901961
N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41454864
4-chloro-3-(methanesulfonamido)-N-(3-prop-2-enoxyphenyl)benzamide
CID 49027316
N-[[2-(methanesulfonamido)phenyl]methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 55723806
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide (CID 55992738) is N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide?
The InChIKey is KWSJHEIQORRVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-16-11-12-17(13-21(16)26-32(2,29)30)23(28)25-19-9-6-10-20(14-19)31-15-22(27)24-18-7-4-3-5-8-18/h3-14,26H,15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide?
N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide has a molecular weight of 453.52 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-(methanesulfonamido)-4-methylbenzamide is sourced from PubChem (CID 55992738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).