N-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide

C15H19NO4S2 — CID 126826618

IUPACN-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide
SMILESCOCC(NS(=O)(=O)c1sccc1C)c1cccc(OC)c1
InChIInChI=1S/C15H19NO4S2/c1-11-7-8-21-15(11)22(17,18)16-14(10-19-2)12-5-4-6-13(9-12)20-3/h4-9,14,16H,10H2,1-3H3
InChIKeyHWCQLGJWSXXVAE-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.73
Rot. Bonds7

About N-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide

N-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide (PubChem CID 126826618) has the molecular formula C15H19NO4S2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide
PubChem CID126826618
Molecular FormulaC15H19NO4S2
Molecular Weight341.45 g/mol
Exact Mass341.08
IUPAC NameN-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide
SMILESCOCC(NS(=O)(=O)c1sccc1C)c1cccc(OC)c1
InChIInChI=1S/C15H19NO4S2/c1-11-7-8-21-15(11)22(17,18)16-14(10-19-2)12-5-4-6-13(9-12)20-3/h4-9,14,16H,10H2,1-3H3
InChIKeyHWCQLGJWSXXVAE-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
methyl 3-methoxy-2-(3-methoxyphenyl)propanoate
CID 117243532
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
1-(3-methoxyphenyl)-N-methyl-2-pentylsulfonylethanamine
CID 107758622
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
(3R)-3-(3-methoxyphenyl)butanenitrile
CID 102340141
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851
2-(3-methoxyphenyl)propyl formate
CID 91471144

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide (CID 126826618) is N-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide is COCC(NS(=O)(=O)c1sccc1C)c1cccc(OC)c1.
What is the InChIKey of N-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide?
The InChIKey is HWCQLGJWSXXVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S2/c1-11-7-8-21-15(11)22(17,18)16-14(10-19-2)12-5-4-6-13(9-12)20-3/h4-9,14,16H,10H2,1-3H3.
What are the key properties of N-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide?
N-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide has a molecular weight of 341.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(3-methoxyphenyl)ethyl]-3-methylthiophene-2-sulfonamide is sourced from PubChem (CID 126826618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).