2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide

C16H19FN2O3S3 — CID 55689276

IUPAC2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccsc1
InChIInChI=1S/C16H19FN2O3S3/c1-23-8-7-14(16(20)18-10-12-6-9-24-11-12)19-25(21,22)15-5-3-2-4-13(15)17/h2-6,9,11,14,19H,7-8,10H2,1H3,(H,18,20)
InChIKeyMBFMZNVJGRMSJK-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.60
Rot. Bonds9

About 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide

2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide (PubChem CID 55689276) has the molecular formula C16H19FN2O3S3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide
PubChem CID55689276
Molecular FormulaC16H19FN2O3S3
Molecular Weight402.54 g/mol
Exact Mass402.05
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccsc1
InChIInChI=1S/C16H19FN2O3S3/c1-23-8-7-14(16(20)18-10-12-6-9-24-11-12)19-25(21,22)15-5-3-2-4-13(15)17/h2-6,9,11,14,19H,7-8,10H2,1H3,(H,18,20)
InChIKeyMBFMZNVJGRMSJK-UHFFFAOYSA-N
XLogP2.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 55340951
2-[(2-fluorophenyl)sulfonylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-4-methylsulfanylbutanamide
CID 24598971
2-[(2-fluorophenyl)sulfonylamino]-N-[(3-methoxy-4-propoxyphenyl)methyl]-4-methylsulfanylbutanamide
CID 55638144
N-(4-fluorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55333970
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55859139
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 55335123
(2R)-2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methylsulfanylbutanamide
CID 41136094
2-[(2-fluorophenyl)sulfonylamino]-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylsulfanylbutanamide
CID 55977067
N-[3-(2-fluoro-N-methylanilino)propyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55954994
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 55527382
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 42906188
2-[(2-fluorophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)-4-methylsulfanylbutanamide
CID 24687371

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide (CID 55689276) is 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide is CSCCC(NS(=O)(=O)c1ccccc1F)C(=O)NCc1ccsc1.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide?
The InChIKey is MBFMZNVJGRMSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S3/c1-23-8-7-14(16(20)18-10-12-6-9-24-11-12)19-25(21,22)15-5-3-2-4-13(15)17/h2-6,9,11,14,19H,7-8,10H2,1H3,(H,18,20).
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide?
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide has a molecular weight of 402.54 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(thiophen-3-ylmethyl)butanamide is sourced from PubChem (CID 55689276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).