2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide

C18H22N2O5S — CID 645309

IUPAC2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O5S/c1-24-16-9-7-14(8-10-16)12-19-18(21)13-20(26(3,22)23)15-5-4-6-17(11-15)25-2/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyLWVDRUUEKMUGRK-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.79
Rot. Bonds8

About 2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide

2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 645309) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID645309
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O5S/c1-24-16-9-7-14(8-10-16)12-19-18(21)13-20(26(3,22)23)15-5-4-6-17(11-15)25-2/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyLWVDRUUEKMUGRK-UHFFFAOYSA-N
XLogP1.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

AAE-M-PBP-amine
CID 24763223
N-{2-[(3-Methoxyphenyl)-phenylamino]ethyl}acetamide
CID 16656789
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
N-[2-(3-methoxy-N-(3-methoxyphenyl)anilino)ethyl]acetamide
CID 24750077
(S)-N-hydroxy-2-(3-methoxyphenylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24952316
(S)-N-hydroxy-2-(isopropylamino)-3-(N-(4-(p-tolyloxy)phenyl)methan-2-ylsulfonamido)propanamide
CID 24956229
2-[(2-anilino-2-oxoethyl)sulfanyl]-N-(4-methoxybenzyl)acetamide
CID 578565
2-[(2,6-Dimethyl-phenyl)-methanesulfonyl-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108138
2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide (CID 645309) is 2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is LWVDRUUEKMUGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-16-9-7-14(8-10-16)12-19-18(21)13-20(26(3,22)23)15-5-4-6-17(11-15)25-2/h4-11H,12-13H2,1-3H3,(H,19,21).
What are the key properties of 2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 378.45 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 645309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).