N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide

C20H18N2O2S — CID 42392664

IUPACN-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1)c1ccsc1
InChIInChI=1S/C20H18N2O2S/c23-19-10-17(21-20(24)16-8-9-25-13-16)12-22(19)11-15-6-3-5-14-4-1-2-7-18(14)15/h1-9,13,17H,10-12H2,(H,21,24)/t17-/m0/s1
InChIKeyDVDVTCLQKACBMB-KRWDZBQOSA-N
MW350.44 g/mol
LogP3.43
Rot. Bonds4

About N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide

N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide (PubChem CID 42392664) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
PubChem CID42392664
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
SMILESO=C(N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1)c1ccsc1
InChIInChI=1S/C20H18N2O2S/c23-19-10-17(21-20(24)16-8-9-25-13-16)12-22(19)11-15-6-3-5-14-4-1-2-7-18(14)15/h1-9,13,17H,10-12H2,(H,21,24)/t17-/m0/s1
InChIKeyDVDVTCLQKACBMB-KRWDZBQOSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 45187441
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 26315441
1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 95719674
N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 56912345
3-hydroxy-2-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 95724518
1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea
CID 25306313
N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 95721627
2-methylsulfanyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45226277
5-chloro-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 95712863
4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 56902155
2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45233435
3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 56904815

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide (CID 42392664) is N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide is O=C(N[C@H]1CC(=O)N(Cc2cccc3ccccc23)C1)c1ccsc1.
What is the InChIKey of N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
The InChIKey is DVDVTCLQKACBMB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18N2O2S/c23-19-10-17(21-20(24)16-8-9-25-13-16)12-22(19)11-15-6-3-5-14-4-1-2-7-18(14)15/h1-9,13,17H,10-12H2,(H,21,24)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide?
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 42392664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).