N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

C22H30N2O5S — CID 46541023

IUPACN-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCOc1ccc(OC)c(CNC(=O)C(CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C22H30N2O5S/c1-15(2)12-20(24-30(26,27)19-9-6-16(3)7-10-19)22(25)23-14-17-13-18(28-4)8-11-21(17)29-5/h6-11,13,15,20,24H,12,14H2,1-5H3,(H,23,25)
InChIKeyBXIXOQAPYMYBHI-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.02
Rot. Bonds10

About N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide

N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (PubChem CID 46541023) has the molecular formula C22H30N2O5S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
PubChem CID46541023
Molecular FormulaC22H30N2O5S
Molecular Weight434.56 g/mol
Exact Mass434.19
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
SMILESCOc1ccc(OC)c(CNC(=O)C(CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C22H30N2O5S/c1-15(2)12-20(24-30(26,27)19-9-6-16(3)7-10-19)22(25)23-14-17-13-18(28-4)8-11-21(17)29-5/h6-11,13,15,20,24H,12,14H2,1-5H3,(H,23,25)
InChIKeyBXIXOQAPYMYBHI-UHFFFAOYSA-N
XLogP3.02
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 43002336
N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46673518
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pentanamide
CID 24551017
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-propylpentanamide
CID 18104806
2-amino-N-[(2,5-dimethoxyphenyl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666975
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pentanamide
CID 55748591
(2S)-N-[(2,4-dimethylphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 55939174
(2R)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 1210914
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(3-phenoxypropyl)pentanamide
CID 55431403
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 24980638
(2S)-2-(carbamoylamino)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33101422

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide (CID 46541023) is N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is COc1ccc(OC)c(CNC(=O)C(CC(C)C)NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
The InChIKey is BXIXOQAPYMYBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O5S/c1-15(2)12-20(24-30(26,27)19-9-6-16(3)7-10-19)22(25)23-14-17-13-18(28-4)8-11-21(17)29-5/h6-11,13,15,20,24H,12,14H2,1-5H3,(H,23,25).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide?
N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide has a molecular weight of 434.56 g/mol, XLogP of 3.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide is sourced from PubChem (CID 46541023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).