N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide

C18H22FNO3S2 — CID 22584092

IUPACN-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO3S2/c1-18(2,3)11-17(21)20-12-16(15-5-4-10-24-15)25(22,23)14-8-6-13(19)7-9-14/h4-10,16H,11-12H2,1-3H3,(H,20,21)
InChIKeySCKUMMABYURKDY-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.95
Rot. Bonds6

About N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide

N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide (PubChem CID 22584092) has the molecular formula C18H22FNO3S2 and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
PubChem CID22584092
Molecular FormulaC18H22FNO3S2
Molecular Weight383.51 g/mol
Exact Mass383.10
IUPAC NameN-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H22FNO3S2/c1-18(2,3)11-17(21)20-12-16(15-5-4-10-24-15)25(22,23)14-8-6-13(19)7-9-14/h4-10,16H,11-12H2,1-3H3,(H,20,21)
InChIKeySCKUMMABYURKDY-UHFFFAOYSA-N
XLogP3.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 22583984
4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 22584082
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7279927
4-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268526
2,6-difluoro-N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 27545836
ethyl 2-[[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]amino]-2-oxoacetate
CID 7279848
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-phenylethyl)oxamide
CID 27558175
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(pyridin-4-ylmethyl)oxamide
CID 41184419
N'-cyclopentyl-N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 41193304
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide
CID 7268431
N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 40775014
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,4-dimethoxybenzamide
CID 22584101

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide (CID 22584092) is N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide?
The InChIKey is SCKUMMABYURKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO3S2/c1-18(2,3)11-17(21)20-12-16(15-5-4-10-24-15)25(22,23)14-8-6-13(19)7-9-14/h4-10,16H,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide?
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide has a molecular weight of 383.51 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 22584092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).