N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide

C19H24N2OS — CID 110244143

IUPACN-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCNC1
InChIInChI=1S/C19H24N2OS/c1-14(2)21-18(22)19(9-10-20-13-19)12-15-6-3-4-7-16(15)17-8-5-11-23-17/h3-8,11,14,20H,9-10,12-13H2,1-2H3,(H,21,22)
InChIKeyCBPVXKQQOXNZRL-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.46
Rot. Bonds5

About N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide

N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110244143) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID110244143
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCNC1
InChIInChI=1S/C19H24N2OS/c1-14(2)21-18(22)19(9-10-20-13-19)12-15-6-3-4-7-16(15)17-8-5-11-23-17/h3-8,11,14,20H,9-10,12-13H2,1-2H3,(H,21,22)
InChIKeyCBPVXKQQOXNZRL-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 110244143) is N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide is CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCNC1.
What is the InChIKey of N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is CBPVXKQQOXNZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c1-14(2)21-18(22)19(9-10-20-13-19)12-15-6-3-4-7-16(15)17-8-5-11-23-17/h3-8,11,14,20H,9-10,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide?
N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110244143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).