N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide

C16H18FNO4S2 — CID 174855557

IUPACN-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide
SMILESCC(C)CC(O)C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C16H18FNO4S2/c1-10(2)9-13(19)16(20)18-14-7-8-15(23-14)24(21,22)12-5-3-11(17)4-6-12/h3-8,10,13,19H,9H2,1-2H3,(H,18,20)
InChIKeyCPWPDYPADRMIED-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.07
Rot. Bonds6

About N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide

N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide (PubChem CID 174855557) has the molecular formula C16H18FNO4S2 and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide
PubChem CID174855557
Molecular FormulaC16H18FNO4S2
Molecular Weight371.46 g/mol
Exact Mass371.07
IUPAC NameN-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide
SMILESCC(C)CC(O)C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C16H18FNO4S2/c1-10(2)9-13(19)16(20)18-14-7-8-15(23-14)24(21,22)12-5-3-11(17)4-6-12/h3-8,10,13,19H,9H2,1-2H3,(H,18,20)
InChIKeyCPWPDYPADRMIED-UHFFFAOYSA-N
XLogP3.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-1-hydroxycyclopropane-1-carboxamide
CID 174855941
(2S)-N-[5-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylthiophen-2-yl]-2-hydroxy-3-methylbutanamide
CID 141436312
2-(4-fluorophenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 55978905
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-(1-bromo-4-methylpentan-2-yl)-4-fluorobenzenesulfonamide
CID 114297205
N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 47268952
2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3410124
N-[(2S,4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 97074662
N-(1-amino-4-methylpentan-2-yl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
CID 119585769
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
N-(5-methylsulfonylthiophen-2-yl)acetamide
CID 21340923
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide?
The IUPAC name of N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide (CID 174855557) is N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide?
The canonical SMILES for N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide is CC(C)CC(O)C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide?
The InChIKey is CPWPDYPADRMIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S2/c1-10(2)9-13(19)16(20)18-14-7-8-15(23-14)24(21,22)12-5-3-11(17)4-6-12/h3-8,10,13,19H,9H2,1-2H3,(H,18,20).
What are the key properties of N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide?
N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide has a molecular weight of 371.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)sulfonylthiophen-2-yl]-2-hydroxy-4-methylpentanamide is sourced from PubChem (CID 174855557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).