2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

C19H24N2O6S2 — CID 133165854

IUPAC2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H24N2O6S2/c1-14(15-5-9-17(10-6-15)28(4,23)24)20-19(22)13-21(2)29(25,26)18-11-7-16(27-3)8-12-18/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyXSHKIAJCKONZGB-UHFFFAOYSA-N
MW440.54 g/mol
LogP1.60
Rot. Bonds8

About 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (PubChem CID 133165854) has the molecular formula C19H24N2O6S2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
PubChem CID133165854
Molecular FormulaC19H24N2O6S2
Molecular Weight440.54 g/mol
Exact Mass440.11
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H24N2O6S2/c1-14(15-5-9-17(10-6-15)28(4,23)24)20-19(22)13-21(2)29(25,26)18-11-7-16(27-3)8-12-18/h5-12,14H,13H2,1-4H3,(H,20,22)
InChIKeyXSHKIAJCKONZGB-UHFFFAOYSA-N
XLogP1.60
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 125059760
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 125058379
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165585
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 26034287
2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28546036
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 133265243
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125078024
2-[ethylsulfonyl(methyl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 100784769
2-[ethylsulfonyl(methyl)amino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 133255493
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
N-[1-(4-methoxyphenyl)ethyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 43872231

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide (CID 133165854) is 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is COc1ccc(S(=O)(=O)N(C)CC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
The InChIKey is XSHKIAJCKONZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S2/c1-14(15-5-9-17(10-6-15)28(4,23)24)20-19(22)13-21(2)29(25,26)18-11-7-16(27-3)8-12-18/h5-12,14H,13H2,1-4H3,(H,20,22).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide?
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide has a molecular weight of 440.54 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide is sourced from PubChem (CID 133165854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).