4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide

C19H21N3OS — CID 4609914

IUPAC4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(C#N)cc1)C(c1cccs1)N1CCCC1
InChIInChI=1S/C19H21N3OS/c1-14(21-19(23)16-8-6-15(13-20)7-9-16)18(17-5-4-12-24-17)22-10-2-3-11-22/h4-9,12,14,18H,2-3,10-11H2,1H3,(H,21,23)
InChIKeyWIXQFDTXWYPDSE-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.58
Rot. Bonds5

About 4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide

4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 4609914) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID4609914
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCC(NC(=O)c1ccc(C#N)cc1)C(c1cccs1)N1CCCC1
InChIInChI=1S/C19H21N3OS/c1-14(21-19(23)16-8-6-15(13-20)7-9-16)18(17-5-4-12-24-17)22-10-2-3-11-22/h4-9,12,14,18H,2-3,10-11H2,1H3,(H,21,23)
InChIKeyWIXQFDTXWYPDSE-UHFFFAOYSA-N
XLogP3.58
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[(3R)-3-{[2-oxo-2-(thiophen-3-yl)ethyl]amino}butyl]benzamide
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CID 2179888
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
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N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
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4-cyano-N-(3-phenylsulfanylpropyl)benzamide
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N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
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CID 18107541

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide (CID 4609914) is 4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide is CC(NC(=O)c1ccc(C#N)cc1)C(c1cccs1)N1CCCC1.
What is the InChIKey of 4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is WIXQFDTXWYPDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14(21-19(23)16-8-6-15(13-20)7-9-16)18(17-5-4-12-24-17)22-10-2-3-11-22/h4-9,12,14,18H,2-3,10-11H2,1H3,(H,21,23).
What are the key properties of 4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide?
4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 339.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 4609914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).