N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide

C17H20FNO3S2 — CID 20962872

IUPACN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide
SMILESCc1cc(S(=O)(=O)C(CNC(=O)C(C)C)c2cccs2)ccc1F
InChIInChI=1S/C17H20FNO3S2/c1-11(2)17(20)19-10-16(15-5-4-8-23-15)24(21,22)13-6-7-14(18)12(3)9-13/h4-9,11,16H,10H2,1-3H3,(H,19,20)
InChIKeyKVJAQDZTGXWRMW-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.48
Rot. Bonds6

About N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide

N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide (PubChem CID 20962872) has the molecular formula C17H20FNO3S2 and a molecular weight of 369.48 g/mol. Its IUPAC name is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide
PubChem CID20962872
Molecular FormulaC17H20FNO3S2
Molecular Weight369.48 g/mol
Exact Mass369.09
IUPAC NameN-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide
SMILESCc1cc(S(=O)(=O)C(CNC(=O)C(C)C)c2cccs2)ccc1F
InChIInChI=1S/C17H20FNO3S2/c1-11(2)17(20)19-10-16(15-5-4-8-23-15)24(21,22)13-6-7-14(18)12(3)9-13/h4-9,11,16H,10H2,1-3H3,(H,19,20)
InChIKeyKVJAQDZTGXWRMW-UHFFFAOYSA-N
XLogP3.48
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 20962840
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 20962880
N-[(2S)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
CID 40817881
3,4-diethoxy-N-[(2R)-2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 92693338
N-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 9167865
4-fluoro-3-methyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)benzenesulfonamide
CID 18574253
2-(4-chlorophenyl)-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
CID 40774735
N'-cyclopropyl-N-[(2S)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 9162725
N-[(2R)-2-(3,4-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]piperidine-1-carboxamide
CID 9162686
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 22584057
4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 27546075

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide (CID 20962872) is N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide is Cc1cc(S(=O)(=O)C(CNC(=O)C(C)C)c2cccs2)ccc1F.
What is the InChIKey of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide?
The InChIKey is KVJAQDZTGXWRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3S2/c1-11(2)17(20)19-10-16(15-5-4-8-23-15)24(21,22)13-6-7-14(18)12(3)9-13/h4-9,11,16H,10H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide?
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide has a molecular weight of 369.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-2-methylpropanamide is sourced from PubChem (CID 20962872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).