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

C22H30N2O6S — CID 100536656

IUPAC2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C22H30N2O6S/c1-7-18(16-8-11-20(29-4)15(2)12-16)23-22(25)14-24(31(6,26)27)19-10-9-17(28-3)13-21(19)30-5/h8-13,18H,7,14H2,1-6H3,(H,23,25)/t18-/m0/s1
InChIKeyBHIRZJAMBPPWHO-SFHVURJKSA-N
MW450.56 g/mol
LogP3.05
Rot. Bonds10

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

2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide (PubChem CID 100536656) has the molecular formula C22H30N2O6S and a molecular weight of 450.56 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
PubChem CID100536656
Molecular FormulaC22H30N2O6S
Molecular Weight450.56 g/mol
Exact Mass450.18
IUPAC Name2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
SMILESCC[C@H](NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C22H30N2O6S/c1-7-18(16-8-11-20(29-4)15(2)12-16)23-22(25)14-24(31(6,26)27)19-10-9-17(28-3)13-21(19)30-5/h8-13,18H,7,14H2,1-6H3,(H,23,25)/t18-/m0/s1
InChIKeyBHIRZJAMBPPWHO-SFHVURJKSA-N
XLogP3.05
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43895681
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 30396951
2-(2-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100584779
2-(2-chloro-N-methylsulfonylanilino)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133161076
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 100665459
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 100615499
2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885818
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 92685281
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 133251991
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28572366
N-[1-(3,4-dimethylphenyl)propyl]-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 43901691
2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 28632681

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide (CID 100536656) is 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide is CC[C@H](NC(=O)CN(c1ccc(OC)cc1OC)S(C)(=O)=O)c1ccc(OC)c(C)c1.
What is the InChIKey of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide?
The InChIKey is BHIRZJAMBPPWHO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H30N2O6S/c1-7-18(16-8-11-20(29-4)15(2)12-16)23-22(25)14-24(31(6,26)27)19-10-9-17(28-3)13-21(19)30-5/h8-13,18H,7,14H2,1-6H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide?
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide has a molecular weight of 450.56 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]acetamide is sourced from PubChem (CID 100536656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).