3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide

C21H21NO4S2 — CID 9181381

IUPAC3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H21NO4S2/c1-15-8-10-16(11-9-15)19(28(24,25)20-7-4-12-27-20)14-22-21(23)17-5-3-6-18(13-17)26-2/h3-13,19H,14H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyFPHGOBQLUDSCKP-LJQANCHMSA-N
MW415.54 g/mol
LogP4.01
Rot. Bonds7

About 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide

3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide (PubChem CID 9181381) has the molecular formula C21H21NO4S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
PubChem CID9181381
Molecular FormulaC21H21NO4S2
Molecular Weight415.54 g/mol
Exact Mass415.09
IUPAC Name3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)S(=O)(=O)c2cccs2)c1
InChIInChI=1S/C21H21NO4S2/c1-15-8-10-16(11-9-15)19(28(24,25)20-7-4-12-27-20)14-22-21(23)17-5-3-6-18(13-17)26-2/h3-13,19H,14H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyFPHGOBQLUDSCKP-LJQANCHMSA-N
XLogP4.01
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-methylbenzamide
CID 9183081
3-methyl-N-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181313
3,4-dimethyl-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9181348
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9181107
N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649043
3-chloro-N-[(2R)-2-phenyl-2-thiophen-2-ylsulfonylethyl]benzamide
CID 9169004
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417
N-[(2S)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]-3-methoxybenzamide
CID 7268107
N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide
CID 9181718
N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N'-propan-2-yloxamide
CID 9181738
2-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]acetamide
CID 9183001
N-[2-(4-methoxyphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 43981238

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide?
The IUPAC name of 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide (CID 9181381) is 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide is COc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)S(=O)(=O)c2cccs2)c1.
What is the InChIKey of 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide?
The InChIKey is FPHGOBQLUDSCKP-LJQANCHMSA-N. The full InChI is InChI=1S/C21H21NO4S2/c1-15-8-10-16(11-9-15)19(28(24,25)20-7-4-12-27-20)14-22-21(23)17-5-3-6-18(13-17)26-2/h3-13,19H,14H2,1-2H3,(H,22,23)/t19-/m1/s1.
What are the key properties of 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide?
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide has a molecular weight of 415.54 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]benzamide is sourced from PubChem (CID 9181381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).