N-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide

C22H22N2OS — CID 11559589

IUPACN-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide
SMILESO=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C22H22N2OS/c25-22(19-10-8-18(9-11-19)21-7-4-14-26-21)23-20-12-13-24(16-20)15-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15-16H2,(H,23,25)/t20-/m0/s1
InChIKeyJJEJCAOIJWQBMJ-FQEVSTJZSA-N
MW362.50 g/mol
LogP4.42
Rot. Bonds5

About N-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide

N-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide (PubChem CID 11559589) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide
PubChem CID11559589
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC NameN-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide
SMILESO=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C22H22N2OS/c25-22(19-10-8-18(9-11-19)21-7-4-14-26-21)23-20-12-13-24(16-20)15-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15-16H2,(H,23,25)/t20-/m0/s1
InChIKeyJJEJCAOIJWQBMJ-FQEVSTJZSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide?
The IUPAC name of N-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide (CID 11559589) is N-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide.
What is the SMILES notation for N-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide?
The canonical SMILES for N-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide is O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(-c2cccs2)cc1.
What is the InChIKey of N-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide?
The InChIKey is JJEJCAOIJWQBMJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N2OS/c25-22(19-10-8-18(9-11-19)21-7-4-14-26-21)23-20-12-13-24(16-20)15-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15-16H2,(H,23,25)/t20-/m0/s1.
What are the key properties of N-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide?
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide has a molecular weight of 362.50 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-benzylpyrrolidin-3-yl]-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 11559589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).