N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide

C15H19NO3S2 — CID 90584021

IUPACN-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C)c(C)c1)c1ccsc1
InChIInChI=1S/C15H19NO3S2/c1-11-4-5-14(8-12(11)2)21(17,18)16-9-15(19-3)13-6-7-20-10-13/h4-8,10,15-16H,9H2,1-3H3
InChIKeyYHBMGRNKJPCCGN-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.03
Rot. Bonds6

About N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide

N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 90584021) has the molecular formula C15H19NO3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide
PubChem CID90584021
Molecular FormulaC15H19NO3S2
Molecular Weight325.46 g/mol
Exact Mass325.08
IUPAC NameN-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(C)c(C)c1)c1ccsc1
InChIInChI=1S/C15H19NO3S2/c1-11-4-5-14(8-12(11)2)21(17,18)16-9-15(19-3)13-6-7-20-10-13/h4-8,10,15-16H,9H2,1-3H3
InChIKeyYHBMGRNKJPCCGN-UHFFFAOYSA-N
XLogP3.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]-3-methylbenzenesulfonamide
CID 97414472
N-(2-methoxy-2-thiophen-3-ylethyl)naphthalene-2-sulfonamide
CID 90584057
4-tert-butyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584060
N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 97414483
3-chloro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584031
methyl 4-[(2-methoxy-2-thiophen-3-ylethyl)sulfamoyl]benzoate
CID 71804782
N-(2-methoxy-2-thiophen-3-ylethyl)-2-methyl-5-nitrobenzenesulfonamide
CID 90584070
2,4-dichloro-N-(2-methoxy-2-thiophen-3-ylethyl)-5-methylbenzenesulfonamide
CID 90584085
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 90584008
2-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]benzenesulfonamide
CID 97427133
2-fluoro-N-(2-methoxy-2-thiophen-3-ylethyl)benzenesulfonamide
CID 90584014
3-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methylbenzenesulfonamide
CID 106434406

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide (CID 90584021) is N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide is COC(CNS(=O)(=O)c1ccc(C)c(C)c1)c1ccsc1.
What is the InChIKey of N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is YHBMGRNKJPCCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S2/c1-11-4-5-14(8-12(11)2)21(17,18)16-9-15(19-3)13-6-7-20-10-13/h4-8,10,15-16H,9H2,1-3H3.
What are the key properties of N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide?
N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 90584021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).