2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide

C16H16F2N2O3S2 — CID 8633335

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CSc1ccc(F)cc1F)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H16F2N2O3S2/c1-10(11-2-5-13(6-3-11)25(19,22)23)20-16(21)9-24-15-7-4-12(17)8-14(15)18/h2-8,10H,9H2,1H3,(H,20,21)(H2,19,22,23)/t10-/m1/s1
InChIKeyNSBVXPRHKYAWRE-SNVBAGLBSA-N
MW386.45 g/mol
LogP2.58
Rot. Bonds6

About 2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide

2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 8633335) has the molecular formula C16H16F2N2O3S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID8633335
Molecular FormulaC16H16F2N2O3S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CSc1ccc(F)cc1F)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H16F2N2O3S2/c1-10(11-2-5-13(6-3-11)25(19,22)23)20-16(21)9-24-15-7-4-12(17)8-14(15)18/h2-8,10H,9H2,1H3,(H,20,21)(H2,19,22,23)/t10-/m1/s1
InChIKeyNSBVXPRHKYAWRE-SNVBAGLBSA-N
XLogP2.58
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8633334
2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 9046240
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
2-(4-methylphenyl)sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146576
2-(2-fluorophenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 51247307
2-(2,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 27640834
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
2-(2-amino-4-fluorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 43304215
2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]-3-methylpentanoic acid
CID 43241590
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103919914
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146585
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94805815

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide (CID 8633335) is 2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide is C[C@@H](NC(=O)CSc1ccc(F)cc1F)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is NSBVXPRHKYAWRE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16F2N2O3S2/c1-10(11-2-5-13(6-3-11)25(19,22)23)20-16(21)9-24-15-7-4-12(17)8-14(15)18/h2-8,10H,9H2,1H3,(H,20,21)(H2,19,22,23)/t10-/m1/s1.
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide?
2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 8633335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).