N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide

C19H16FNO3S2 — CID 7279927

IUPACN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H16FNO3S2/c20-15-8-10-16(11-9-15)26(23,24)18(17-7-4-12-25-17)13-21-19(22)14-5-2-1-3-6-14/h1-12,18H,13H2,(H,21,22)/t18-/m0/s1
InChIKeyFTJZNJBHXMREHC-SFHVURJKSA-N
MW389.47 g/mol
LogP3.83
Rot. Bonds6

About N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide

N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide (PubChem CID 7279927) has the molecular formula C19H16FNO3S2 and a molecular weight of 389.47 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
PubChem CID7279927
Molecular FormulaC19H16FNO3S2
Molecular Weight389.47 g/mol
Exact Mass389.06
IUPAC NameN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H16FNO3S2/c20-15-8-10-16(11-9-15)26(23,24)18(17-7-4-12-25-17)13-21-19(22)14-5-2-1-3-6-14/h1-12,18H,13H2,(H,21,22)/t18-/m0/s1
InChIKeyFTJZNJBHXMREHC-SFHVURJKSA-N
XLogP3.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 22584082
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
N-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 27546075
N-[2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3-fluorobenzamide
CID 22581594
3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268528
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,4-dimethoxybenzamide
CID 22584101
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 27555335
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-N-(2-phenylethyl)oxamide
CID 27558175
N-[2-(4-fluorophenyl)-2-thiophen-2-ylsulfonylethyl]benzamide
CID 44649417
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 22584092
4-fluoro-N-(2-phenyl-2-thiophen-2-ylsulfonylethyl)benzamide
CID 44649058

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide (CID 7279927) is N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide is O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is FTJZNJBHXMREHC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H16FNO3S2/c20-15-8-10-16(11-9-15)26(23,24)18(17-7-4-12-25-17)13-21-19(22)14-5-2-1-3-6-14/h1-12,18H,13H2,(H,21,22)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide?
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 389.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 7279927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).