2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide

C16H23N3O3S — CID 139516817

IUPAC2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide
SMILESO=C(CSCC(=O)NC1CCCC1)NCCn1ccccc1=O
InChIInChI=1S/C16H23N3O3S/c20-14(17-8-10-19-9-4-3-7-16(19)22)11-23-12-15(21)18-13-5-1-2-6-13/h3-4,7,9,13H,1-2,5-6,8,10-12H2,(H,17,20)(H,18,21)
InChIKeyYCVWGFKJSINVDN-UHFFFAOYSA-N
MW337.44 g/mol
LogP0.76
Rot. Bonds8

About 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide

2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide (PubChem CID 139516817) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide
PubChem CID139516817
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide
SMILESO=C(CSCC(=O)NC1CCCC1)NCCn1ccccc1=O
InChIInChI=1S/C16H23N3O3S/c20-14(17-8-10-19-9-4-3-7-16(19)22)11-23-12-15(21)18-13-5-1-2-6-13/h3-4,7,9,13H,1-2,5-6,8,10-12H2,(H,17,20)(H,18,21)
InChIKeyYCVWGFKJSINVDN-UHFFFAOYSA-N
XLogP0.76
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide (CID 139516817) is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide is O=C(CSCC(=O)NC1CCCC1)NCCn1ccccc1=O.
What is the InChIKey of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide?
The InChIKey is YCVWGFKJSINVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-14(17-8-10-19-9-4-3-7-16(19)22)11-23-12-15(21)18-13-5-1-2-6-13/h3-4,7,9,13H,1-2,5-6,8,10-12H2,(H,17,20)(H,18,21).
What are the key properties of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide?
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide has a molecular weight of 337.44 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxo-1-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 139516817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).