N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide

C20H16FNO5S2 — CID 27555335

IUPACN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H16FNO5S2/c21-14-4-6-15(7-5-14)29(24,25)19(18-2-1-9-28-18)11-22-20(23)13-3-8-16-17(10-13)27-12-26-16/h1-10,19H,11-12H2,(H,22,23)/t19-/m0/s1
InChIKeyYZNSCAWDLNNFFD-IBGZPJMESA-N
MW433.48 g/mol
LogP3.56
Rot. Bonds6

About N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide

N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 27555335) has the molecular formula C20H16FNO5S2 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID27555335
Molecular FormulaC20H16FNO5S2
Molecular Weight433.48 g/mol
Exact Mass433.05
IUPAC NameN-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H16FNO5S2/c21-14-4-6-15(7-5-14)29(24,25)19(18-2-1-9-28-18)11-22-20(23)13-3-8-16-17(10-13)27-12-26-16/h1-10,19H,11-12H2,(H,22,23)/t19-/m0/s1
InChIKeyYZNSCAWDLNNFFD-IBGZPJMESA-N
XLogP3.56
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 92693454
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
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,4-dimethoxybenzamide
CID 22584101
N-[(2S)-2-(1,3-benzodioxol-5-ylsulfonyl)-2-thiophen-2-ylethyl]-2-chloroacetamide
CID 9162432
N-[(2S)-2-phenyl-2-thiophen-2-ylsulfonylethyl]-1,3-benzodioxole-5-carboxamide
CID 9168936
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
N-[(2R)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 41193748
3-fluoro-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7268528

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide (CID 27555335) is N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide is O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is YZNSCAWDLNNFFD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H16FNO5S2/c21-14-4-6-15(7-5-14)29(24,25)19(18-2-1-9-28-18)11-22-20(23)13-3-8-16-17(10-13)27-12-26-16/h1-10,19H,11-12H2,(H,22,23)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide?
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 433.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 27555335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).