4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide

C15H17NO4S2 — CID 110675023

IUPAC4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCc2cccs2)cc1S(C)(=O)=O
InChIInChI=1S/C15H17NO4S2/c1-20-13-6-5-11(10-14(13)22(2,18)19)15(17)16-8-7-12-4-3-9-21-12/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeyHXXWMOIQPBOEJV-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.13
Rot. Bonds6

About 4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide

4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 110675023) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID110675023
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Name4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCc2cccs2)cc1S(C)(=O)=O
InChIInChI=1S/C15H17NO4S2/c1-20-13-6-5-11(10-14(13)22(2,18)19)15(17)16-8-7-12-4-3-9-21-12/h3-6,9-10H,7-8H2,1-2H3,(H,16,17)
InChIKeyHXXWMOIQPBOEJV-UHFFFAOYSA-N
XLogP2.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 46582229
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 134012934
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110621510
4-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-methylsulfonylbenzamide
CID 110632422
4-methoxy-3-methylsulfonyl-N-(2-propan-2-yloxyethyl)benzamide
CID 110610417
2,4,5-trimethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 32969473
4-methoxy-3-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 110632085
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110632717
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
4-(methoxymethyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 27770290
5-(diethylsulfamoyl)-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 19257817
9-oxo-N-(2-thiophen-2-ylethyl)fluorene-2-carboxamide
CID 16612942

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide (CID 110675023) is 4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide is COc1ccc(C(=O)NCCc2cccs2)cc1S(C)(=O)=O.
What is the InChIKey of 4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is HXXWMOIQPBOEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-20-13-6-5-11(10-14(13)22(2,18)19)15(17)16-8-7-12-4-3-9-21-12/h3-6,9-10H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide?
4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 110675023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).