5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide

C20H24N2O2S — CID 72907620

IUPAC5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NCCN2CCC(c3ccccc3C)C2)cs1
InChIInChI=1S/C20H24N2O2S/c1-14-5-3-4-6-18(14)16-7-9-22(12-16)10-8-21-20(24)17-11-19(15(2)23)25-13-17/h3-6,11,13,16H,7-10,12H2,1-2H3,(H,21,24)
InChIKeyAYJNRXRKLJBYLO-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.48
Rot. Bonds6

About 5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide

5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide (PubChem CID 72907620) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide
PubChem CID72907620
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NCCN2CCC(c3ccccc3C)C2)cs1
InChIInChI=1S/C20H24N2O2S/c1-14-5-3-4-6-18(14)16-7-9-22(12-16)10-8-21-20(24)17-11-19(15(2)23)25-13-17/h3-6,11,13,16H,7-10,12H2,1-2H3,(H,21,24)
InChIKeyAYJNRXRKLJBYLO-UHFFFAOYSA-N
XLogP3.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 124730324
2-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 126450185
2-ethyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 125166620
2-(ethylamino)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 97138436
2-(ethylamino)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrimidine-5-carboxamide
CID 72841954
4,6-dimethyl-N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 97138379
N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70745244
N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 124757330
1-(2-hydroxyethyl)-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 131946409
2-(2-hydroxyethyl)-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]pyrazole-3-carboxamide
CID 126437845
N-[2-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97116888
5-chloro-2-methoxy-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 131891063

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide (CID 72907620) is 5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide is CC(=O)c1cc(C(=O)NCCN2CCC(c3ccccc3C)C2)cs1.
What is the InChIKey of 5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide?
The InChIKey is AYJNRXRKLJBYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-14-5-3-4-6-18(14)16-7-9-22(12-16)10-8-21-20(24)17-11-19(15(2)23)25-13-17/h3-6,11,13,16H,7-10,12H2,1-2H3,(H,21,24).
What are the key properties of 5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide?
5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-[3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 72907620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).