N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide

C16H18N2OS2 — CID 30898769

IUPACN-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C16H18N2OS2/c19-15(12-21-16-8-5-11-20-16)17-13-6-1-2-7-14(13)18-9-3-4-10-18/h1-2,5-8,11H,3-4,9-10,12H2,(H,17,19)
InChIKeyFYYBUILDOANBPE-UHFFFAOYSA-N
MW318.47 g/mol
LogP4.08
Rot. Bonds5

About N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide

N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide (PubChem CID 30898769) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide
PubChem CID30898769
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC NameN-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide
SMILESO=C(CSc1cccs1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C16H18N2OS2/c19-15(12-21-16-8-5-11-20-16)17-13-6-1-2-7-14(13)18-9-3-4-10-18/h1-2,5-8,11H,3-4,9-10,12H2,(H,17,19)
InChIKeyFYYBUILDOANBPE-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 30897344
2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35357969
2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358026
2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
CID 112789398
2-hydroxy-3-[(2-thiophen-2-ylsulfanylacetyl)amino]benzoic acid
CID 104832830
N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 24660504
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
3-hydroxy-4-[(2-thiophen-2-ylsulfanylacetyl)amino]benzoic acid
CID 60826734
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
2-(2-phenylethylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30752050
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide?
The IUPAC name of N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide (CID 30898769) is N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide is O=C(CSc1cccs1)Nc1ccccc1N1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide?
The InChIKey is FYYBUILDOANBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS2/c19-15(12-21-16-8-5-11-20-16)17-13-6-1-2-7-14(13)18-9-3-4-10-18/h1-2,5-8,11H,3-4,9-10,12H2,(H,17,19).
What are the key properties of N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide?
N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide has a molecular weight of 318.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide is sourced from PubChem (CID 30898769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).