2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide

C17H20N2O4S — CID 1248521

IUPAC2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-13-9-10-15(23-3)16(11-13)24(21,22)19(2)12-17(20)18-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyFVLULAGWSJWBTN-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.26
Rot. Bonds6

About 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide

2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide (PubChem CID 1248521) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
PubChem CID1248521
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-13-9-10-15(23-3)16(11-13)24(21,22)19(2)12-17(20)18-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyFVLULAGWSJWBTN-UHFFFAOYSA-N
XLogP2.26
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 40924317
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CID 6473971
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide (CID 1248521) is 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide is COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide?
The InChIKey is FVLULAGWSJWBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-9-10-15(23-3)16(11-13)24(21,22)19(2)12-17(20)18-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide?
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide has a molecular weight of 348.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide is sourced from PubChem (CID 1248521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).