2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide

C17H20N2O4S2 — CID 1293648

IUPAC2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S2/c1-23-15-9-7-14(8-10-15)19(25(3,21)22)12-17(20)18-13-5-4-6-16(11-13)24-2/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyOGNRZEJSWOCNDO-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.82
Rot. Bonds7

About 2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide

2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 1293648) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
PubChem CID1293648
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S2/c1-23-15-9-7-14(8-10-15)19(25(3,21)22)12-17(20)18-13-5-4-6-16(11-13)24-2/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyOGNRZEJSWOCNDO-UHFFFAOYSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,6-Dimethyl-phenyl)-methanesulfonyl-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108138
2-(carbamoylamino)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylsulfanylbutanamide
CID 3930725
2-[(4-fluorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486369
2-(carbamoylamino)-N-[5-[(4-methoxyphenyl)sulfamoyl]-2-piperidin-1-ylphenyl]propanamide
CID 4291895
(2S)-1-(2-fluorophenyl)sulfonyl-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 16247664
2-[N-(4-Methoxyphenyl)benzenesulfonamido]-N-(2-{[(4-methylphenyl)methyl]sulfanyl}ethyl)acetamide
CID 2250010
N~2~-(3-methoxyphenyl)-N~2~-(methylsulfonyl)-N~1~-[2-(phenylthio)ethyl]glycinamide
CID 2213884
N-(4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl)acetamide
CID 15941553
(2S)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 26719840
2-amino-N-[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]acetamide
CID 53378637
N-(4-methoxyphenyl)-2-(phenylsulfonyl)acetamide
CID 893006
N4-Acetyl-N1-(4-methoxyphenyl)sulfanilamide
CID 289430

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide (CID 1293648) is 2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide is COc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is OGNRZEJSWOCNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-23-15-9-7-14(8-10-15)19(25(3,21)22)12-17(20)18-13-5-4-6-16(11-13)24-2/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of 2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide?
2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 380.49 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 1293648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).