(2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide

C23H32N2O6S — CID 100699476

IUPAC(2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
SMILESCC[C@@H](NC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C23H32N2O6S/c1-8-19(17-9-11-20(29-4)15(2)13-17)24-23(26)16(3)25(32(7,27)28)18-10-12-21(30-5)22(14-18)31-6/h9-14,16,19H,8H2,1-7H3,(H,24,26)/t16-,19-/m1/s1
InChIKeyBUMZVEYDFYWGAU-VQIMIIECSA-N
MW464.58 g/mol
LogP3.44
Rot. Bonds10

About (2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide

(2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide (PubChem CID 100699476) has the molecular formula C23H32N2O6S and a molecular weight of 464.58 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
PubChem CID100699476
Molecular FormulaC23H32N2O6S
Molecular Weight464.58 g/mol
Exact Mass464.20
IUPAC Name(2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
SMILESCC[C@@H](NC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C23H32N2O6S/c1-8-19(17-9-11-20(29-4)15(2)13-17)24-23(26)16(3)25(32(7,27)28)18-10-12-21(30-5)22(14-18)31-6/h9-14,16,19H,8H2,1-7H3,(H,24,26)/t16-,19-/m1/s1
InChIKeyBUMZVEYDFYWGAU-VQIMIIECSA-N
XLogP3.44
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 125054709
(2S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125057710
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 133163771
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 125057264
(2S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 125057326
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100677761
N-[1-(3,4-dimethylphenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132665796
(2S)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 125048969
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]butanamide
CID 125048937
(2S)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]butanamide
CID 125057730
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 43875538
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 132670159

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide?
The IUPAC name of (2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide (CID 100699476) is (2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide?
The canonical SMILES for (2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide is CC[C@@H](NC(=O)[C@@H](C)N(c1ccc(OC)c(OC)c1)S(C)(=O)=O)c1ccc(OC)c(C)c1.
What is the InChIKey of (2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide?
The InChIKey is BUMZVEYDFYWGAU-VQIMIIECSA-N. The full InChI is InChI=1S/C23H32N2O6S/c1-8-19(17-9-11-20(29-4)15(2)13-17)24-23(26)16(3)25(32(7,27)28)18-10-12-21(30-5)22(14-18)31-6/h9-14,16,19H,8H2,1-7H3,(H,24,26)/t16-,19-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide?
(2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide has a molecular weight of 464.58 g/mol, XLogP of 3.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide is sourced from PubChem (CID 100699476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).