2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide

C20H26N2O5S2 — CID 30223744

IUPAC2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCc1cccc(C)c1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O5S2/c1-14-7-6-8-15(2)20(14)22(29(5,26)27)13-19(23)21-16(3)17-9-11-18(12-10-17)28(4,24)25/h6-12,16H,13H2,1-5H3,(H,21,23)/t16-/m0/s1
InChIKeyRVXQCAIZQHTONQ-INIZCTEOSA-N
MW438.57 g/mol
LogP2.35
Rot. Bonds7

About 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 30223744) has the molecular formula C20H26N2O5S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID30223744
Molecular FormulaC20H26N2O5S2
Molecular Weight438.57 g/mol
Exact Mass438.13
IUPAC Name2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCc1cccc(C)c1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O5S2/c1-14-7-6-8-15(2)20(14)22(29(5,26)27)13-19(23)21-16(3)17-9-11-18(12-10-17)28(4,24)25/h6-12,16H,13H2,1-5H3,(H,21,23)/t16-/m0/s1
InChIKeyRVXQCAIZQHTONQ-INIZCTEOSA-N
XLogP2.35
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2854471
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43896263
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43895448
2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30219626
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30245380
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166559
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36612731
2-(N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30210835
4-(2-methyl-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165749
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92675214
2-(3-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30303519
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30253344

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 30223744) is 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide is Cc1cccc(C)c1N(CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is RVXQCAIZQHTONQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O5S2/c1-14-7-6-8-15(2)20(14)22(29(5,26)27)13-19(23)21-16(3)17-9-11-18(12-10-17)28(4,24)25/h6-12,16H,13H2,1-5H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 438.57 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 30223744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).