4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide

C17H21N3O2S2 — CID 46955469

IUPAC4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide
SMILESO=C(CCCN1CCCC1=O)NC(Cc1cccs1)c1nccs1
InChIInChI=1S/C17H21N3O2S2/c21-15(5-1-8-20-9-2-6-16(20)22)19-14(17-18-7-11-24-17)12-13-4-3-10-23-13/h3-4,7,10-11,14H,1-2,5-6,8-9,12H2,(H,19,21)
InChIKeyOBDBOPKFVIXCSF-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.01
Rot. Bonds8

About 4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide

4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide (PubChem CID 46955469) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide
PubChem CID46955469
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC Name4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide
SMILESO=C(CCCN1CCCC1=O)NC(Cc1cccs1)c1nccs1
InChIInChI=1S/C17H21N3O2S2/c21-15(5-1-8-20-9-2-6-16(20)22)19-14(17-18-7-11-24-17)12-13-4-3-10-23-13/h3-4,7,10-11,14H,1-2,5-6,8-9,12H2,(H,19,21)
InChIKeyOBDBOPKFVIXCSF-UHFFFAOYSA-N
XLogP3.01
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide (CID 46955469) is 4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide is O=C(CCCN1CCCC1=O)NC(Cc1cccs1)c1nccs1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide?
The InChIKey is OBDBOPKFVIXCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c21-15(5-1-8-20-9-2-6-16(20)22)19-14(17-18-7-11-24-17)12-13-4-3-10-23-13/h3-4,7,10-11,14H,1-2,5-6,8-9,12H2,(H,19,21).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide?
4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide has a molecular weight of 363.51 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]butanamide is sourced from PubChem (CID 46955469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).