2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide

C20H20N2O3S2 — CID 41397075

IUPAC2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESCS(=O)(=O)c1cccc(NCC(=O)N[C@H](c2ccccc2)c2cccs2)c1
InChIInChI=1S/C20H20N2O3S2/c1-27(24,25)17-10-5-9-16(13-17)21-14-19(23)22-20(18-11-6-12-26-18)15-7-3-2-4-8-15/h2-13,20-21H,14H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyUFIFVBQUWNEBAZ-HXUWFJFHSA-N
MW400.53 g/mol
LogP3.47
Rot. Bonds7

About 2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide

2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide (PubChem CID 41397075) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
PubChem CID41397075
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
SMILESCS(=O)(=O)c1cccc(NCC(=O)N[C@H](c2ccccc2)c2cccs2)c1
InChIInChI=1S/C20H20N2O3S2/c1-27(24,25)17-10-5-9-16(13-17)21-14-19(23)22-20(18-11-6-12-26-18)15-7-3-2-4-8-15/h2-13,20-21H,14H2,1H3,(H,22,23)/t20-/m1/s1
InChIKeyUFIFVBQUWNEBAZ-HXUWFJFHSA-N
XLogP3.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2-methylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 17499467
4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732
N-[(S)-phenyl(thiophen-2-yl)methyl]-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866543
2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41392516
2-(2,5-dimethylanilino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 17499470
2-[4-[2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl]piperazin-1-yl]-N-phenylacetamide
CID 166192323
2-(cyclopropylmethylamino)-N-[(3-methylsulfonylphenyl)-phenylmethyl]acetamide;hydrochloride
CID 119796976
2-[3-(azepan-1-ylsulfonyl)anilino]-N-[(1S)-1-phenylethyl]acetamide
CID 9101152
2-(2-methoxyethylamino)-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 78912542
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552
2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 37229648
[2-oxo-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-acetamidobenzoate
CID 9491556

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide (CID 41397075) is 2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide is CS(=O)(=O)c1cccc(NCC(=O)N[C@H](c2ccccc2)c2cccs2)c1.
What is the InChIKey of 2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
The InChIKey is UFIFVBQUWNEBAZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-27(24,25)17-10-5-9-16(13-17)21-14-19(23)22-20(18-11-6-12-26-18)15-7-3-2-4-8-15/h2-13,20-21H,14H2,1H3,(H,22,23)/t20-/m1/s1.
What are the key properties of 2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide?
2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide has a molecular weight of 400.53 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylanilino)-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 41397075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).