2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide

C17H20FN3O5S3 — CID 171625319

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide
SMILESCc1sc(S(=O)(=O)N2CCCC2)cc1NC(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O5S3/c1-12-15(10-17(27-12)29(25,26)21-8-2-3-9-21)20-16(22)11-19-28(23,24)14-6-4-13(18)5-7-14/h4-7,10,19H,2-3,8-9,11H2,1H3,(H,20,22)
InChIKeyWOAUYTBCYXJIPN-UHFFFAOYSA-N
MW461.56 g/mol
LogP1.90
Rot. Bonds7

About 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide

2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide (PubChem CID 171625319) has the molecular formula C17H20FN3O5S3 and a molecular weight of 461.56 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide
PubChem CID171625319
Molecular FormulaC17H20FN3O5S3
Molecular Weight461.56 g/mol
Exact Mass461.05
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide
SMILESCc1sc(S(=O)(=O)N2CCCC2)cc1NC(=O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FN3O5S3/c1-12-15(10-17(27-12)29(25,26)21-8-2-3-9-21)20-16(22)11-19-28(23,24)14-6-4-13(18)5-7-14/h4-7,10,19H,2-3,8-9,11H2,1H3,(H,20,22)
InChIKeyWOAUYTBCYXJIPN-UHFFFAOYSA-N
XLogP1.90
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9495477
3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24540288
[2-[(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)amino]-2-oxoethyl]azanium
CID 171625366
4-(dimethylamino)-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)benzamide
CID 46385457
N-ethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]acetamide
CID 55365065
N-(2-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
CID 772291
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 893384
N-[2-(azepan-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 894307
N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894224
2-(4-fluoroanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9098686
2-(4-acetamidophenyl)-N-(2-methyl-5-thiomorpholin-4-ylsulfonylthiophen-3-yl)acetamide
CID 50829201
N-(2-chloro-4-fluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083656

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide (CID 171625319) is 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide is Cc1sc(S(=O)(=O)N2CCCC2)cc1NC(=O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide?
The InChIKey is WOAUYTBCYXJIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O5S3/c1-12-15(10-17(27-12)29(25,26)21-8-2-3-9-21)20-16(22)11-19-28(23,24)14-6-4-13(18)5-7-14/h4-7,10,19H,2-3,8-9,11H2,1H3,(H,20,22).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide has a molecular weight of 461.56 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(2-methyl-5-pyrrolidin-1-ylsulfonylthiophen-3-yl)acetamide is sourced from PubChem (CID 171625319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).