(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide

C20H26N2O6S2 — CID 125083726

IUPAC(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCOc1cccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O6S2/c1-14(16-9-11-19(12-10-16)29(4,24)25)21-20(23)15(2)22(30(5,26)27)17-7-6-8-18(13-17)28-3/h6-15H,1-5H3,(H,21,23)/t14-,15-/m1/s1
InChIKeyOHBZBRBTMZHMDG-HUUCEWRRSA-N
MW454.57 g/mol
LogP2.13
Rot. Bonds8

About (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide

(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide (PubChem CID 125083726) has the molecular formula C20H26N2O6S2 and a molecular weight of 454.57 g/mol. Its IUPAC name is (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
PubChem CID125083726
Molecular FormulaC20H26N2O6S2
Molecular Weight454.57 g/mol
Exact Mass454.12
IUPAC Name(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCOc1cccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O6S2/c1-14(16-9-11-19(12-10-16)29(4,24)25)21-20(23)15(2)22(30(5,26)27)17-7-6-8-18(13-17)28-3/h6-15H,1-5H3,(H,21,23)/t14-,15-/m1/s1
InChIKeyOHBZBRBTMZHMDG-HUUCEWRRSA-N
XLogP2.13
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125044125
(2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125087700
2-(3-methyl-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165715
(2R)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99132688
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 28633347
N-[1-(4-methylsulfonylphenyl)ethyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 133165717
(2S)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125086281
N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132671548
(2R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125059418
(2S)-2-(4-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94012081
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125080118
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125044091

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide (CID 125083726) is (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide is COc1cccc(N([C@H](C)C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)S(C)(=O)=O)c1.
What is the InChIKey of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
The InChIKey is OHBZBRBTMZHMDG-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H26N2O6S2/c1-14(16-9-11-19(12-10-16)29(4,24)25)21-20(23)15(2)22(30(5,26)27)17-7-6-8-18(13-17)28-3/h6-15H,1-5H3,(H,21,23)/t14-,15-/m1/s1.
What are the key properties of (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide?
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide has a molecular weight of 454.57 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide is sourced from PubChem (CID 125083726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).