2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C14H17NO4S2 — CID 6457434

IUPAC2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2cccs2)c(OC)cc1C
InChIInChI=1S/C14H17NO4S2/c1-10-7-13(19-3)14(8-12(10)18-2)21(16,17)15-9-11-5-4-6-20-11/h4-8,15H,9H2,1-3H3
InChIKeyXVQLGDVEIRMFCB-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.55
Rot. Bonds6

About 2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 6457434) has the molecular formula C14H17NO4S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID6457434
Molecular FormulaC14H17NO4S2
Molecular Weight327.43 g/mol
Exact Mass327.06
IUPAC Name2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2cccs2)c(OC)cc1C
InChIInChI=1S/C14H17NO4S2/c1-10-7-13(19-3)14(8-12(10)18-2)21(16,17)15-9-11-5-4-6-20-11/h4-8,15H,9H2,1-3H3
InChIKeyXVQLGDVEIRMFCB-UHFFFAOYSA-N
XLogP2.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43242507
3-methoxy-4-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 102694688
4-iodo-3-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35202847
4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline
CID 61059321
2-methoxy-4,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440479
1-(3-methoxy-4-methylphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 54883860
N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
CID 39792806
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-2-methylbenzenesulfonamide
CID 110783185
2,5-dimethoxy-N,4-dimethylbenzenesulfonamide
CID 50876508
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79962051

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 6457434) is 2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is COc1cc(S(=O)(=O)NCc2cccs2)c(OC)cc1C.
What is the InChIKey of 2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is XVQLGDVEIRMFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S2/c1-10-7-13(19-3)14(8-12(10)18-2)21(16,17)15-9-11-5-4-6-20-11/h4-8,15H,9H2,1-3H3.
What are the key properties of 2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 327.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 6457434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).