N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide

C14H17NO3S2 — CID 39793326

IUPACN-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C14H17NO3S2/c1-11-8-9-14(19-11)20(16,17)15(2)10-12-6-4-5-7-13(12)18-3/h4-9H,10H2,1-3H3
InChIKeyZRGWKUNOVCIVEB-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.89
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide

N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide (PubChem CID 39793326) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
PubChem CID39793326
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC NameN-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
SMILESCOc1ccccc1CN(C)S(=O)(=O)c1ccc(C)s1
InChIInChI=1S/C14H17NO3S2/c1-11-8-9-14(19-11)20(16,17)15(2)10-12-6-4-5-7-13(12)18-3/h4-9H,10H2,1-3H3
InChIKeyZRGWKUNOVCIVEB-UHFFFAOYSA-N
XLogP2.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 2531281
5-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylthiophene-2-sulfonamide
CID 61059090
N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47109851
4-methoxy-N-[(2-methoxyphenyl)methyl]-N,3,5-trimethylbenzenesulfonamide
CID 112822977
N-[(4-hydroxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 54913854
N-(1-benzofuran-2-ylmethyl)-N,5-dimethylthiophene-2-sulfonamide
CID 110732957
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-sulfonamide
CID 52561453
N-[(4-bromothiophen-2-yl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47318970
4-bromo-2,6-dichloro-N-[(2-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30328481
methyl 4-[(2-methoxyphenyl)methyl-methylsulfamoyl]benzoate
CID 26528290
N-[(2,3-dimethoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 87032979
2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61052630

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide (CID 39793326) is N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide is COc1ccccc1CN(C)S(=O)(=O)c1ccc(C)s1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
The InChIKey is ZRGWKUNOVCIVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-11-8-9-14(19-11)20(16,17)15(2)10-12-6-4-5-7-13(12)18-3/h4-9H,10H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide?
N-[(2-methoxyphenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.89, 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,5-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 39793326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).