2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide

C22H30N2O7S — CID 133162977

IUPAC2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C(C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C22H30N2O7S/c1-14(18-12-16(28-3)8-10-20(18)30-5)23-22(25)15(2)24(32(7,26)27)19-13-17(29-4)9-11-21(19)31-6/h8-15H,1-7H3,(H,23,25)
InChIKeyQDLLPURXWHHFTN-UHFFFAOYSA-N
MW466.56 g/mol
LogP2.75
Rot. Bonds10

About 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide (PubChem CID 133162977) has the molecular formula C22H30N2O7S and a molecular weight of 466.56 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
PubChem CID133162977
Molecular FormulaC22H30N2O7S
Molecular Weight466.56 g/mol
Exact Mass466.18
IUPAC Name2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C(C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C22H30N2O7S/c1-14(18-12-16(28-3)8-10-20(18)30-5)23-22(25)15(2)24(32(7,26)27)19-13-17(29-4)9-11-21(19)31-6/h8-15H,1-7H3,(H,23,25)
InChIKeyQDLLPURXWHHFTN-UHFFFAOYSA-N
XLogP2.75
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 125057636
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 132662723
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133200071
(2R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125059418
(2R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 100641711
(2S)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 125052859
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 133262204
(2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)propanamide
CID 125064126
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]butanamide
CID 133235166
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)propanamide
CID 125044225
(2R)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 125077302
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)propanamide
CID 132662721

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide (CID 133162977) is 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide is COc1ccc(OC)c(C(C)NC(=O)C(C)N(c2cc(OC)ccc2OC)S(C)(=O)=O)c1.
What is the InChIKey of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is QDLLPURXWHHFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O7S/c1-14(18-12-16(28-3)8-10-20(18)30-5)23-22(25)15(2)24(32(7,26)27)19-13-17(29-4)9-11-21(19)31-6/h8-15H,1-7H3,(H,23,25).
What are the key properties of 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 466.56 g/mol, XLogP of 2.75, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 133162977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).