N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide

C13H15NO3S2 — CID 2531281

IUPACN-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H15NO3S2/c1-14(19(15,16)13-8-5-9-18-13)10-11-6-3-4-7-12(11)17-2/h3-9H,10H2,1-2H3
InChIKeyKQZSOCBYRLYVQR-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.58
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide

N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide (PubChem CID 2531281) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
PubChem CID2531281
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C13H15NO3S2/c1-14(19(15,16)13-8-5-9-18-13)10-11-6-3-4-7-12(11)17-2/h3-9H,10H2,1-2H3
InChIKeyKQZSOCBYRLYVQR-UHFFFAOYSA-N
XLogP2.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide
CID 52561453
N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 39793326
N-[(2-ethoxy-3-pyridinyl)methyl]-N-methylthiophene-2-sulfonamide
CID 53184966
N-methyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 47020933
N-ethyl-N-methylthiophene-2-sulfonamide;hydrochloride
CID 130616398
1-(bromomethyl)-2-methoxybenzene;thiophene-2-sulfonamide
CID 129017405
4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide
CID 112822977
2-fluoro-4,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35305554
5-chloro-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 26943739
N-[(2-methoxyphenyl)methyl]-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 26943731
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-[(5-bromothiophen-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 9302453

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide (CID 2531281) is N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide is COc1ccccc1CN(C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is KQZSOCBYRLYVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-14(19(15,16)13-8-5-9-18-13)10-11-6-3-4-7-12(11)17-2/h3-9H,10H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide?
N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 2531281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).