5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide

C20H21N3O3S — CID 45169433

IUPAC5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide
SMILESCc1cc2cc(NC(=O)c3ccc(C4CCCN4C(=O)CN)s3)ccc2o1
InChIInChI=1S/C20H21N3O3S/c1-12-9-13-10-14(4-5-16(13)26-12)22-20(25)18-7-6-17(27-18)15-3-2-8-23(15)19(24)11-21/h4-7,9-10,15H,2-3,8,11,21H2,1H3,(H,22,25)
InChIKeyWADFJNKYJTXNOK-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.68
Rot. Bonds4

About 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide

5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide (PubChem CID 45169433) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide
PubChem CID45169433
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide
SMILESCc1cc2cc(NC(=O)c3ccc(C4CCCN4C(=O)CN)s3)ccc2o1
InChIInChI=1S/C20H21N3O3S/c1-12-9-13-10-14(4-5-16(13)26-12)22-20(25)18-7-6-17(27-18)15-3-2-8-23(15)19(24)11-21/h4-7,9-10,15H,2-3,8,11,21H2,1H3,(H,22,25)
InChIKeyWADFJNKYJTXNOK-UHFFFAOYSA-N
XLogP3.68
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-1-benzofuran-5-yl)-2-morpholin-4-ylbenzamide
CID 131952544
N-(1,3-benzodioxol-5-yl)-5-[(2S)-1-propan-2-ylpyrrolidin-2-yl]thiophene-2-carboxamide
CID 30937298
N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-2-ylpiperidine-1-carboxamide
CID 118779586
N-(1H-benzimidazol-2-yl)-5-[(2S)-1-propanoylpyrrolidin-2-yl]thiophene-2-carboxamide
CID 28642143
(2R)-N-(2-methyl-1-benzofuran-5-yl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 97275123
2-[5-(methylcarbamoyl)thiophen-2-yl]-N-(3-methylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 72939461
5-[(2R)-1-(1-benzofuran-5-carbonyl)pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 29056960
3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
CID 72859203
N-(2-methyl-1-benzofuran-5-yl)thiomorpholine-4-carboxamide
CID 72870610
5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 45220914
4-acetyl-N-(2-methyl-1-benzofuran-5-yl)-1,4-diazepane-1-carboxamide
CID 72920823
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(2-methyl-1-benzofuran-5-yl)urea
CID 125170612

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide (CID 45169433) is 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide is Cc1cc2cc(NC(=O)c3ccc(C4CCCN4C(=O)CN)s3)ccc2o1.
What is the InChIKey of 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide?
The InChIKey is WADFJNKYJTXNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-12-9-13-10-14(4-5-16(13)26-12)22-20(25)18-7-6-17(27-18)15-3-2-8-23(15)19(24)11-21/h4-7,9-10,15H,2-3,8,11,21H2,1H3,(H,22,25).
What are the key properties of 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide?
5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-(2-methyl-1-benzofuran-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 45169433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).