N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide

C17H20N2O5S — CID 3542360

IUPACN-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C17H20N2O5S/c1-23-15-10-9-13(11-16(15)24-2)18-17(20)12-19(25(3,21)22)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyPAFPRMDTHVVNBE-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.11
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide

N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide (PubChem CID 3542360) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
PubChem CID3542360
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C17H20N2O5S/c1-23-15-10-9-13(11-16(15)24-2)18-17(20)12-19(25(3,21)22)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyPAFPRMDTHVVNBE-UHFFFAOYSA-N
XLogP2.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1107867
N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3139212
N-(4-methoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 1360894
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 2282293
N-(4-chlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1100013
2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167201
N-(3,4-dichlorophenyl)-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 1295229
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095230
N-(3,4-dimethoxyphenyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 1100061
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1098011
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3,4-dimethoxyphenyl)acetamide
CID 1206346

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide (CID 3542360) is N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide is COc1ccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is PAFPRMDTHVVNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S/c1-23-15-10-9-13(11-16(15)24-2)18-17(20)12-19(25(3,21)22)14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide?
N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 364.42 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 3542360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).