N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide

C25H27N3O2S — CID 41184047

IUPACN-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C25H27N3O2S/c29-24(18-28-16-6-12-22(28)23-13-7-17-31-23)27-21-11-5-4-10-20(21)25(30)26-15-14-19-8-2-1-3-9-19/h1-5,7-11,13,17,22H,6,12,14-16,18H2,(H,26,30)(H,27,29)/t22-/m0/s1
InChIKeyMWVKQXIEFKXZEW-QFIPXVFZSA-N
MW433.58 g/mol
LogP4.50
Rot. Bonds8

About N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide

N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide (PubChem CID 41184047) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
PubChem CID41184047
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC NameN-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C25H27N3O2S/c29-24(18-28-16-6-12-22(28)23-13-7-17-31-23)27-21-11-5-4-10-20(21)25(30)26-15-14-19-8-2-1-3-9-19/h1-5,7-11,13,17,22H,6,12,14-16,18H2,(H,26,30)(H,27,29)/t22-/m0/s1
InChIKeyMWVKQXIEFKXZEW-QFIPXVFZSA-N
XLogP4.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
CID 9166376
N-(2-methoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17436135
N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 25398053
N-(2,3-dimethylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446369
N-[2,5-dimethoxy-4-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]phenyl]benzamide
CID 41187714
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446245
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446247
N-benzyl-2-[[2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 26608344
N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446407
N-(4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446431
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17423661

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide (CID 41184047) is N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide is O=C(CN1CCC[C@H]1c1cccs1)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide?
The InChIKey is MWVKQXIEFKXZEW-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27N3O2S/c29-24(18-28-16-6-12-22(28)23-13-7-17-31-23)27-21-11-5-4-10-20(21)25(30)26-15-14-19-8-2-1-3-9-19/h1-5,7-11,13,17,22H,6,12,14-16,18H2,(H,26,30)(H,27,29)/t22-/m0/s1.
What are the key properties of N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide?
N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide has a molecular weight of 433.58 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 41184047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).