N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide

C21H23NO4S2 — CID 26011077

IUPACN-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCCc1ccc([C@@H](NS(=O)(=O)c2ccc(OC)cc2OC)c2cccs2)cc1
InChIInChI=1S/C21H23NO4S2/c1-4-15-7-9-16(10-8-15)21(19-6-5-13-27-19)22-28(23,24)20-12-11-17(25-2)14-18(20)26-3/h5-14,21-22H,4H2,1-3H3/t21-/m1/s1
InChIKeyJEBYABFFEMGNGM-OAQYLSRUSA-N
MW417.55 g/mol
LogP4.40
Rot. Bonds8

About N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide

N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 26011077) has the molecular formula C21H23NO4S2 and a molecular weight of 417.55 g/mol. Its IUPAC name is N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID26011077
Molecular FormulaC21H23NO4S2
Molecular Weight417.55 g/mol
Exact Mass417.11
IUPAC NameN-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCCc1ccc([C@@H](NS(=O)(=O)c2ccc(OC)cc2OC)c2cccs2)cc1
InChIInChI=1S/C21H23NO4S2/c1-4-15-7-9-16(10-8-15)21(19-6-5-13-27-19)22-28(23,24)20-12-11-17(25-2)14-18(20)26-3/h5-14,21-22H,4H2,1-3H3/t21-/m1/s1
InChIKeyJEBYABFFEMGNGM-OAQYLSRUSA-N
XLogP4.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-methyl-N-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 8816503
2,4-dimethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 19682467
3-acetyl-N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]benzenesulfonamide
CID 9189330
N-[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7669917
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208
(2R)-2-[[(S)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8769242
N-[4,5-dichloro-2-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 57382707
N-(2,4-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9052002
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320
2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
CID 40790424
N-(2-amino-1,2-diphenylethyl)-2,4-dimethoxybenzenesulfonamide
CID 122362570

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide (CID 26011077) is N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide is CCc1ccc([C@@H](NS(=O)(=O)c2ccc(OC)cc2OC)c2cccs2)cc1.
What is the InChIKey of N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is JEBYABFFEMGNGM-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23NO4S2/c1-4-15-7-9-16(10-8-15)21(19-6-5-13-27-19)22-28(23,24)20-12-11-17(25-2)14-18(20)26-3/h5-14,21-22H,4H2,1-3H3/t21-/m1/s1.
What are the key properties of N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide?
N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 417.55 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 26011077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).