5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide

C18H18N2O3S — CID 97041948

IUPAC5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1
InChIInChI=1S/C18H18N2O3S/c19-17(22)13-9-16(24-11-13)18(23)20-8-4-7-14(20)10-15(21)12-5-2-1-3-6-12/h1-3,5-6,9,11,14H,4,7-8,10H2,(H2,19,22)/t14-/m1/s1
InChIKeyIHMYXOKPKLKCMI-CQSZACIVSA-N
MW342.42 g/mol
LogP2.72
Rot. Bonds5

About 5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide

5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide (PubChem CID 97041948) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide
PubChem CID97041948
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide
SMILESNC(=O)c1csc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1
InChIInChI=1S/C18H18N2O3S/c19-17(22)13-9-16(24-11-13)18(23)20-8-4-7-14(20)10-15(21)12-5-2-1-3-6-12/h1-3,5-6,9,11,14H,4,7-8,10H2,(H2,19,22)/t14-/m1/s1
InChIKeyIHMYXOKPKLKCMI-CQSZACIVSA-N
XLogP2.72
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 136578762
1-phenyl-2-[(2S)-1-(thiophene-3-carbonyl)pyrrolidin-2-yl]ethanone
CID 97041732
2-[1-(3-carbamoylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372262
2-[1-(4-acetylbenzoyl)pyrrolidin-2-yl]-1-phenylethanone
CID 75425281
5-[2-[(3-aminopropanoylamino)methyl]piperidine-1-carbonyl]thiophene-3-carboxamide
CID 120579115
3-[(2R)-2-phenacylpyrrolidine-1-carbonyl]benzonitrile
CID 97041924
5-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]thiophene-3-carboxamide
CID 167804825
benzyl (2S)-2-phenacylpyrrolidine-1-carboxylate
CID 164675638
2-[3-[(2S)-2-phenacylpyrrolidine-1-carbonyl]phenyl]acetonitrile
CID 97041772
5-(4-benzyl-2-methyl-1,4-diazepane-1-carbonyl)thiophene-3-carboxamide
CID 136527442
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
2-[1-[2-(3-hydroxyphenyl)acetyl]pyrrolidin-2-yl]-1-phenylethanone
CID 86785890

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide (CID 97041948) is 5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide is NC(=O)c1csc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)c1.
What is the InChIKey of 5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide?
The InChIKey is IHMYXOKPKLKCMI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N2O3S/c19-17(22)13-9-16(24-11-13)18(23)20-8-4-7-14(20)10-15(21)12-5-2-1-3-6-12/h1-3,5-6,9,11,14H,4,7-8,10H2,(H2,19,22)/t14-/m1/s1.
What are the key properties of 5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide?
5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-phenacylpyrrolidine-1-carbonyl]thiophene-3-carboxamide is sourced from PubChem (CID 97041948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).