N-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide

C13H15NO3S2 — CID 4780754

IUPACN-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1C(C)NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H15NO3S2/c1-10(11-6-3-4-7-12(11)17-2)14-19(15,16)13-8-5-9-18-13/h3-10,14H,1-2H3
InChIKeyXJCAWJROQWAKFL-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.80
Rot. Bonds5

About N-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide

N-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 4780754) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID4780754
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccccc1C(C)NS(=O)(=O)c1cccs1
InChIInChI=1S/C13H15NO3S2/c1-10(11-6-3-4-7-12(11)17-2)14-19(15,16)13-8-5-9-18-13/h3-10,14H,1-2H3
InChIKeyXJCAWJROQWAKFL-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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
2-Methoxy-5-methyl-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 6458154
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
N-(2-methoxybenzyl)-3-(thien-2-ylsulfonyl)propanamide
CID 3237297
5-chloro-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 2105632
((2-Methoxyphenyl)methyl)((thiophen-2-yl)methyl)amine
CID 2115238
N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 769090
4-methoxy-N-(2-thienylmethyl)benzenesulfonamide
CID 2169350
N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241
5-bromo-N-(2-methoxybenzyl)-2-thiophenesulfonamide
CID 989238

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide (CID 4780754) is N-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide is COc1ccccc1C(C)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is XJCAWJROQWAKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-10(11-6-3-4-7-12(11)17-2)14-19(15,16)13-8-5-9-18-13/h3-10,14H,1-2H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
N-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 4780754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).