N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide

C24H26N2O5S — CID 23740639

IUPACN-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESCOc1ccccc1CNC(=O)C(C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C24H26N2O5S/c1-18(24(27)25-17-19-9-7-8-12-23(19)30-2)26(32(3,28)29)20-13-15-22(16-14-20)31-21-10-5-4-6-11-21/h4-16,18H,17H2,1-3H3,(H,25,27)
InChIKeyAJEYCLSWEMGWSO-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.96
Rot. Bonds9

About N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide

N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide (PubChem CID 23740639) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
PubChem CID23740639
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESCOc1ccccc1CNC(=O)C(C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C24H26N2O5S/c1-18(24(27)25-17-19-9-7-8-12-23(19)30-2)26(32(3,28)29)20-13-15-22(16-14-20)31-21-10-5-4-6-11-21/h4-16,18H,17H2,1-3H3,(H,25,27)
InChIKeyAJEYCLSWEMGWSO-UHFFFAOYSA-N
XLogP3.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(2-ethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 92677455
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 3610388
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 132669260
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133190543
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133166189
(2S)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 1079324
N-[2-(3-methoxyphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 133185396
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 133185401
(2R)-N-(2-benzylsulfanylethyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126031870
2-(N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 132666802
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 133162254
2-(4-methoxy-N-methylsulfonylanilino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133166185

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide (CID 23740639) is N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide is COc1ccccc1CNC(=O)C(C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The InChIKey is AJEYCLSWEMGWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-18(24(27)25-17-19-9-7-8-12-23(19)30-2)26(32(3,28)29)20-13-15-22(16-14-20)31-21-10-5-4-6-11-21/h4-16,18H,17H2,1-3H3,(H,25,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide has a molecular weight of 454.55 g/mol, XLogP of 3.96, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide is sourced from PubChem (CID 23740639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).