2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C13H15NO3S2 — CID 6458154

IUPAC2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C13H15NO3S2/c1-10-5-6-12(17-2)13(8-10)19(15,16)14-9-11-4-3-7-18-11/h3-8,14H,9H2,1-2H3
InChIKeyIWSKREXVOROFMN-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.54
Rot. Bonds5

About 2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 6458154) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID6458154
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC Name2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCc1cccs1
InChIInChI=1S/C13H15NO3S2/c1-10-5-6-12(17-2)13(8-10)19(15,16)14-9-11-4-3-7-18-11/h3-8,14H,9H2,1-2H3
InChIKeyIWSKREXVOROFMN-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AL5927
CID 4316
Thiophene-2-sulfonic acid 2-methoxy-benzylamide
CID 769085
N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 4782345
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
5-(4-Methoxybenzylthio)thiophene-2-sulfonamide
CID 15599374
N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 769090
4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2169350
N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241
5-bromo-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 1317233
4-ethoxy-3-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267846
4-methoxy-2,5-dimethyl-N-(2-thienylmethyl)benzenesulfonamide
CID 1256404
N-(2-methoxybenzyl)-N-methylthiophene-2-sulfonamide
CID 2531281

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 6458154) is 2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCc1cccs1.
What is the InChIKey of 2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is IWSKREXVOROFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-10-5-6-12(17-2)13(8-10)19(15,16)14-9-11-4-3-7-18-11/h3-8,14H,9H2,1-2H3.
What are the key properties of 2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 6458154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).