2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide

C18H22N2O4S — CID 112992365

IUPAC2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-13-9-10-16(24-3)17(11-13)25(22,23)19-12-18(21)20-14(2)15-7-5-4-6-8-15/h4-11,14,19H,12H2,1-3H3,(H,20,21)
InChIKeyAUSDJYDTWDWBLD-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.16
Rot. Bonds7

About 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide

2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide (PubChem CID 112992365) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
PubChem CID112992365
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCC(=O)NC(C)c1ccccc1
InChIInChI=1S/C18H22N2O4S/c1-13-9-10-16(24-3)17(11-13)25(22,23)19-12-18(21)20-14(2)15-7-5-4-6-8-15/h4-11,14,19H,12H2,1-3H3,(H,20,21)
InChIKeyAUSDJYDTWDWBLD-UHFFFAOYSA-N
XLogP2.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-methylacetamide
CID 8801649
N-(5-hydroxy-3-phenylpentyl)-2-methoxy-5-methylbenzenesulfonamide
CID 121112300
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28547217
4-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylbutanoate
CID 4173614
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998674
2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40720374
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872424
N-[2-(dimethylamino)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 112991494
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 27664736
(3-methylphenyl) 2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 110670472
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43891537
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7695512

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide (CID 112992365) is 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide is COc1ccc(C)cc1S(=O)(=O)NCC(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide?
The InChIKey is AUSDJYDTWDWBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-9-10-16(24-3)17(11-13)25(22,23)19-12-18(21)20-14(2)15-7-5-4-6-8-15/h4-11,14,19H,12H2,1-3H3,(H,20,21).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide?
2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 112992365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).