4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C14H17NO3S2 — CID 47316710

IUPAC4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cccs2)c(C)c1
InChIInChI=1S/C14H17NO3S2/c1-11-10-12(18-2)5-6-14(11)20(16,17)15-8-7-13-4-3-9-19-13/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyIKOOXEFXQYORAP-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.59
Rot. Bonds6

About 4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 47316710) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID47316710
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC Name4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2cccs2)c(C)c1
InChIInChI=1S/C14H17NO3S2/c1-11-10-12(18-2)5-6-14(11)20(16,17)15-8-7-13-4-3-9-19-13/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyIKOOXEFXQYORAP-UHFFFAOYSA-N
XLogP2.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-methoxy-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110758795
4-methoxy-2-methyl-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 110323250
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
2,4-dimethoxy-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110758706
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307
5-amino-4-bromo-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 114624888
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 126850421
4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789435
N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110711871
4-methoxy-2-methyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzenesulfonamide
CID 30944339
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110788206

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 47316710) is 4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2cccs2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is IKOOXEFXQYORAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-11-10-12(18-2)5-6-14(11)20(16,17)15-8-7-13-4-3-9-19-13/h3-6,9-10,15H,7-8H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 47316710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).