N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C26H30N2O4S — CID 30214531

IUPACN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C26H30N2O4S/c1-18-9-12-24(13-10-18)33(30,31)28(22-7-6-8-23(16-22)32-5)17-26(29)27-21(4)25-14-11-19(2)15-20(25)3/h6-16,21H,17H2,1-5H3,(H,27,29)/t21-/m0/s1
InChIKeyFBYQWEJNOFTDKW-NRFANRHFSA-N
MW466.60 g/mol
LogP4.69
Rot. Bonds8

About N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 30214531) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID30214531
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1cccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C26H30N2O4S/c1-18-9-12-24(13-10-18)33(30,31)28(22-7-6-8-23(16-22)32-5)17-26(29)27-21(4)25-14-11-19(2)15-20(25)3/h6-16,21H,17H2,1-5H3,(H,27,29)/t21-/m0/s1
InChIKeyFBYQWEJNOFTDKW-NRFANRHFSA-N
XLogP4.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 43894135
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30211773
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92682371
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 28631720
N-(2,4-dimethylphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3139283
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92678299
N-[1-(2,4-dimethylphenyl)ethyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43896842
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30306626
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 92682945
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43894244
N-[1-(2,4-dimethylphenyl)ethyl]-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 43900454
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 30212055

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 30214531) is N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1cccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is FBYQWEJNOFTDKW-NRFANRHFSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-18-9-12-24(13-10-18)33(30,31)28(22-7-6-8-23(16-22)32-5)17-26(29)27-21(4)25-14-11-19(2)15-20(25)3/h6-16,21H,17H2,1-5H3,(H,27,29)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30214531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).