2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C20H24N2O3S2 — CID 4781261

IUPAC2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NC1CCCc2ccccc21
InChIInChI=1S/C20H24N2O3S2/c23-19(21-18-9-5-7-15-6-1-2-8-17(15)18)14-16-10-11-20(26-16)27(24,25)22-12-3-4-13-22/h1-2,6,8,10-11,18H,3-5,7,9,12-14H2,(H,21,23)
InChIKeyHECLKVIUYYIVJH-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.27
Rot. Bonds5

About 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4781261) has the molecular formula C20H24N2O3S2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4781261
Molecular FormulaC20H24N2O3S2
Molecular Weight404.56 g/mol
Exact Mass404.12
IUPAC Name2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NC1CCCc2ccccc21
InChIInChI=1S/C20H24N2O3S2/c23-19(21-18-9-5-7-15-6-1-2-8-17(15)18)14-16-10-11-20(26-16)27(24,25)22-12-3-4-13-22/h1-2,6,8,10-11,18H,3-5,7,9,12-14H2,(H,21,23)
InChIKeyHECLKVIUYYIVJH-UHFFFAOYSA-N
XLogP3.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methylthiophen-2-yl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 46521602
N-pyrrolidin-3-yl-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119451561
2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28552190
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51273599
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28555984
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 23767525
N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide
CID 25414621
N-[2-(aminomethyl)cyclopentyl]-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 119603615
N-[2-(aminomethyl)cyclohexyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
CID 119610644
2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20918800
2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20879530
2-(2-methyl-4-piperidin-1-ylsulfonylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43873581

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4781261) is 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)NC1CCCc2ccccc21.
What is the InChIKey of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is HECLKVIUYYIVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S2/c23-19(21-18-9-5-7-15-6-1-2-8-17(15)18)14-16-10-11-20(26-16)27(24,25)22-12-3-4-13-22/h1-2,6,8,10-11,18H,3-5,7,9,12-14H2,(H,21,23).
What are the key properties of 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 404.56 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4781261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).