2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide

C18H22N2O3S — CID 133260926

IUPAC2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-14(16-7-5-4-6-8-16)19-18(21)13-15-9-11-17(12-10-15)20(2)24(3,22)23/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyCMWXMUWYXVMKEI-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.50
Rot. Bonds6

About 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide

2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide (PubChem CID 133260926) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide
PubChem CID133260926
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-14(16-7-5-4-6-8-16)19-18(21)13-15-9-11-17(12-10-15)20(2)24(3,22)23/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyCMWXMUWYXVMKEI-UHFFFAOYSA-N
XLogP2.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 133260923
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786931
2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 30464380
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193
N-[1-[5-[methyl(methylsulfonyl)amino]-2-pyridinyl]ethyl]-2-(4-propan-2-ylphenyl)acetamide
CID 76655354
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128712
2-(N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 40633950
N-[1-(4-fluorophenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 43906829
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
2-(4-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 2890982
2-(2-methylsulfonylphenyl)-N-(1-phenylethyl)acetamide
CID 110438351

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide (CID 133260926) is 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide is CC(NC(=O)Cc1ccc(N(C)S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide?
The InChIKey is CMWXMUWYXVMKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(16-7-5-4-6-8-16)19-18(21)13-15-9-11-17(12-10-15)20(2)24(3,22)23/h4-12,14H,13H2,1-3H3,(H,19,21).
What are the key properties of 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide?
2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide has a molecular weight of 346.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(methylsulfonyl)amino]phenyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 133260926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).