N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide

C13H15NO3S2 — CID 769090

IUPACN-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H15NO3S2/c1-17-12-6-4-11(5-7-12)8-9-14-19(15,16)13-3-2-10-18-13/h2-7,10,14H,8-9H2,1H3
InChIKeyPCXUDRHAHOINSR-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.28
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide

N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 769090) has the molecular formula C13H15NO3S2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID769090
Molecular FormulaC13H15NO3S2
Molecular Weight297.40 g/mol
Exact Mass297.05
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2cccs2)cc1
InChIInChI=1S/C13H15NO3S2/c1-17-12-6-4-11(5-7-12)8-9-14-19(15,16)13-3-2-10-18-13/h2-7,10,14H,8-9H2,1H3
InChIKeyPCXUDRHAHOINSR-UHFFFAOYSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AL5927
CID 4316
5-[[4-(Trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide
CID 132819872
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
5-(4-Methoxybenzylthio)thiophene-2-sulfonamide
CID 15599374
4-methoxy-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide
CID 2059861
4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 2169350
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide
CID 2535136
N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4784924

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide (CID 769090) is N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide is COc1ccc(CCNS(=O)(=O)c2cccs2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is PCXUDRHAHOINSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S2/c1-17-12-6-4-11(5-7-12)8-9-14-19(15,16)13-3-2-10-18-13/h2-7,10,14H,8-9H2,1H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide?
N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 297.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 769090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).