N-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

C15H15ClN2OS — CID 3358402

IUPACN-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCC1c1cccs1
InChIInChI=1S/C15H15ClN2OS/c16-11-5-7-12(8-6-11)17-15(19)18-9-1-3-13(18)14-4-2-10-20-14/h2,4-8,10,13H,1,3,9H2,(H,17,19)
InChIKeyTYCOSENLZSUWDX-UHFFFAOYSA-N
MW306.82 g/mol
LogP4.77
Rot. Bonds2

About N-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

N-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 3358402) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID3358402
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCC1c1cccs1
InChIInChI=1S/C15H15ClN2OS/c16-11-5-7-12(8-6-11)17-15(19)18-9-1-3-13(18)14-4-2-10-20-14/h2,4-8,10,13H,1,3,9H2,(H,17,19)
InChIKeyTYCOSENLZSUWDX-UHFFFAOYSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 3358402) is N-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCCC1c1cccs1.
What is the InChIKey of N-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is TYCOSENLZSUWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c16-11-5-7-12(8-6-11)17-15(19)18-9-1-3-13(18)14-4-2-10-20-14/h2,4-8,10,13H,1,3,9H2,(H,17,19).
What are the key properties of N-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
N-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 306.82 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 3358402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).