N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C17H20N2O4S — CID 882050

IUPACN-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-13-7-9-16(10-8-13)24(21,22)19(2)12-17(20)18-14-5-4-6-15(11-14)23-3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyPXYOEXDDYMWBKO-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.26
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 882050) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID882050
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-13-7-9-16(10-8-13)24(21,22)19(2)12-17(20)18-14-5-4-6-15(11-14)23-3/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyPXYOEXDDYMWBKO-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

Act-462206
CID 40924317
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
2-[(2,6-Dimethyl-phenyl)-methanesulfonyl-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108138
N-[(5S)-6-hydroxy-5-[isobutyl(p-tolylsulfonyl)amino]hexyl]-2-[N-[(4-methoxyphenyl)methyl]anilino]acetamide
CID 508697
N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 129274553
N-(2-azepan-1-yl-2-oxoethyl)-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 1001017
N1-[3-(3-{[(4-cyanophenyl)sulfonyl]amino}propoxy)phenyl]acetamide
CID 2802630
N-[2-(4-fluorophenyl)ethyl]-N'-(3-methoxyphenyl)oxamide
CID 3691945
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)acetamide
CID 6464473
N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468739
2-(N-Benzyl4-methoxybenzenesulfonamido)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1119952
N~1~-(3-methoxyphenyl)-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(2-phenylethyl)glycinamide
CID 1359892

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 882050) is N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is COc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is PXYOEXDDYMWBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-7-9-16(10-8-13)24(21,22)19(2)12-17(20)18-14-5-4-6-15(11-14)23-3/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide 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 N-(3-methoxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 882050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).