2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C14H20N2OS — CID 124756257

IUPAC2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)[C@H]1C=CCN1CC(=O)NCc1cccs1
InChIInChI=1S/C14H20N2OS/c1-11(2)13-6-3-7-16(13)10-14(17)15-9-12-5-4-8-18-12/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeySHOMJRWPBQJMKT-CYBMUJFWSA-N
MW264.39 g/mol
LogP2.26
Rot. Bonds5

About 2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 124756257) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID124756257
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)[C@H]1C=CCN1CC(=O)NCc1cccs1
InChIInChI=1S/C14H20N2OS/c1-11(2)13-6-3-7-16(13)10-14(17)15-9-12-5-4-8-18-12/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeySHOMJRWPBQJMKT-CYBMUJFWSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 124756257) is 2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is CC(C)[C@H]1C=CCN1CC(=O)NCc1cccs1.
What is the InChIKey of 2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SHOMJRWPBQJMKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-11(2)13-6-3-7-16(13)10-14(17)15-9-12-5-4-8-18-12/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,15,17)/t13-/m1/s1.
What are the key properties of 2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 264.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-propan-2-yl-2,5-dihydropyrrol-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 124756257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).