2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide

C26H30N2O5S — CID 100749746

IUPAC2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@H](C)NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O5S/c1-5-20-11-13-21(14-12-20)19(2)27-26(29)18-28(34(30,31)23-9-7-6-8-10-23)24-17-22(32-3)15-16-25(24)33-4/h6-17,19H,5,18H2,1-4H3,(H,27,29)/t19-/m0/s1
InChIKeyCRVBLGNXRSVSRX-IBGZPJMESA-N
MW482.60 g/mol
LogP4.34
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 100749746) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
PubChem CID100749746
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@H](C)NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O5S/c1-5-20-11-13-21(14-12-20)19(2)27-26(29)18-28(34(30,31)23-9-7-6-8-10-23)24-17-22(32-3)15-16-25(24)33-4/h6-17,19H,5,18H2,1-4H3,(H,27,29)/t19-/m0/s1
InChIKeyCRVBLGNXRSVSRX-IBGZPJMESA-N
XLogP4.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(1-phenylethyl)acetamide
CID 2889683
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133158376
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902149
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94862246
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 30304509
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902052
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 92681700
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-propan-2-ylacetamide
CID 3139074
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 93488377
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92646148
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43910376
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133187724

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide (CID 100749746) is 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc([C@H](C)NC(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is CRVBLGNXRSVSRX-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-5-20-11-13-21(14-12-20)19(2)27-26(29)18-28(34(30,31)23-9-7-6-8-10-23)24-17-22(32-3)15-16-25(24)33-4/h6-17,19H,5,18H2,1-4H3,(H,27,29)/t19-/m0/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 482.60 g/mol, XLogP of 4.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 100749746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).