(2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide

C24H26N2O4S — CID 1322663

IUPAC(2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C24H26N2O4S/c1-19(24(27)25(2)18-20-10-6-4-7-11-20)26(31(3,28)29)21-14-16-23(17-15-21)30-22-12-8-5-9-13-22/h4-17,19H,18H2,1-3H3/t19-/m0/s1
InChIKeyFUCMGWGFWLQZTG-IBGZPJMESA-N
MW438.55 g/mol
LogP4.29
Rot. Bonds8

About (2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide

(2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide (PubChem CID 1322663) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is (2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
PubChem CID1322663
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name(2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C24H26N2O4S/c1-19(24(27)25(2)18-20-10-6-4-7-11-20)26(31(3,28)29)21-14-16-23(17-15-21)30-22-12-8-5-9-13-22/h4-17,19H,18H2,1-3H3/t19-/m0/s1
InChIKeyFUCMGWGFWLQZTG-IBGZPJMESA-N
XLogP4.29
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,N-dimethyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 124577930
(2R)-N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 30388969
N-methyl-N-[(4-methylphenyl)methyl]-2-(N-methylsulfonylanilino)propanamide
CID 43905083
(2S)-N,N-dibenzyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1004340
N-benzyl-2-(4-ethoxy-N-methylsulfonylanilino)-N-methylbutanamide
CID 132662390
(2R)-2-hydroxy-N-methyl-N-[(4-phenoxyphenyl)methyl]propanamide
CID 70764862
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 132670755
(2R)-N-(2-benzylsulfanylethyl)-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126031870
N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 5105119
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(N-methylsulfonylanilino)propanamide
CID 43886338
N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
CID 1077619
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-(4-phenoxyphenyl)methanesulfonamide
CID 2929151

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The IUPAC name of (2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide (CID 1322663) is (2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide.
What is the SMILES notation for (2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The canonical SMILES for (2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide is C[C@@H](C(=O)N(C)Cc1ccccc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The InChIKey is FUCMGWGFWLQZTG-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-19(24(27)25(2)18-20-10-6-4-7-11-20)26(31(3,28)29)21-14-16-23(17-15-21)30-22-12-8-5-9-13-22/h4-17,19H,18H2,1-3H3/t19-/m0/s1.
What are the key properties of (2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
(2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide has a molecular weight of 438.55 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-N-methyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide is sourced from PubChem (CID 1322663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).