3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide

C22H23NO5S2 — CID 92693452

IUPAC3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H23NO5S2/c1-15-6-9-17(10-7-15)30(25,26)21(20-5-4-12-29-20)14-23-22(24)16-8-11-18(27-2)19(13-16)28-3/h4-13,21H,14H2,1-3H3,(H,23,24)/t21-/m0/s1
InChIKeyYUNYKZFLBLCPGE-NRFANRHFSA-N
MW445.56 g/mol
LogP4.02
Rot. Bonds8

About 3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide

3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide (PubChem CID 92693452) has the molecular formula C22H23NO5S2 and a molecular weight of 445.56 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
PubChem CID92693452
Molecular FormulaC22H23NO5S2
Molecular Weight445.56 g/mol
Exact Mass445.10
IUPAC Name3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C22H23NO5S2/c1-15-6-9-17(10-7-15)30(25,26)21(20-5-4-12-29-20)14-23-22(24)16-8-11-18(27-2)19(13-16)28-3/h4-13,21H,14H2,1-3H3,(H,23,24)/t21-/m0/s1
InChIKeyYUNYKZFLBLCPGE-NRFANRHFSA-N
XLogP4.02
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,4-dimethoxybenzamide
CID 22584101
4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526
N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 43981238
3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268528
N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 92693454
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 20962880
N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-(4-methylphenoxy)acetamide
CID 20962834
3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 92693338
4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 22584082
N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
CID 20962805
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774914
2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
CID 40774735

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide (CID 92693452) is 3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide is COc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is YUNYKZFLBLCPGE-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23NO5S2/c1-15-6-9-17(10-7-15)30(25,26)21(20-5-4-12-29-20)14-23-22(24)16-8-11-18(27-2)19(13-16)28-3/h4-13,21H,14H2,1-3H3,(H,23,24)/t21-/m0/s1.
What are the key properties of 3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 445.56 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 92693452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).