N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide

C15H19NO4S2 — CID 110408836

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(C)s2)c(OC)c1
InChIInChI=1S/C15H19NO4S2/c1-11-4-7-15(21-11)22(17,18)16-9-8-12-5-6-13(19-2)10-14(12)20-3/h4-7,10,16H,8-9H2,1-3H3
InChIKeyKUOWHJWZKGYWIA-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.59
Rot. Bonds7

About N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide

N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 110408836) has the molecular formula C15H19NO4S2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID110408836
Molecular FormulaC15H19NO4S2
Molecular Weight341.45 g/mol
Exact Mass341.08
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(C)s2)c(OC)c1
InChIInChI=1S/C15H19NO4S2/c1-11-4-7-15(21-11)22(17,18)16-9-8-12-5-6-13(19-2)10-14(12)20-3/h4-7,10,16H,8-9H2,1-3H3
InChIKeyKUOWHJWZKGYWIA-UHFFFAOYSA-N
XLogP2.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 113096502
N-[2-(2,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110601518
4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 110601508
3-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 110601522
5-ethyl-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 87031963
N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 110371546
5-methyl-N-[2-(2,4,5-trimethylphenoxy)ethyl]thiophene-2-sulfonamide
CID 113101290
5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide
CID 110326084
5-(hydroxymethyl)-N-[2-(2-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 106262606
N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113061353
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 45003249
N-[2-(4-ethoxyphenoxy)ethyl]-5-methylthiophene-2-sulfonamide
CID 30366287

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide (CID 110408836) is N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(C)s2)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is KUOWHJWZKGYWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S2/c1-11-4-7-15(21-11)22(17,18)16-9-8-12-5-6-13(19-2)10-14(12)20-3/h4-7,10,16H,8-9H2,1-3H3.
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 341.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 110408836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).