N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide

C18H19FN2O3S — CID 42158307

IUPACN-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)s1
InChIInChI=1S/C18H19FN2O3S/c1-24-11-15-5-6-16(25-15)18(23)20-14-8-17(22)21(10-14)9-12-3-2-4-13(19)7-12/h2-7,14H,8-11H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyCFYFOCZKRPCLDS-AWEZNQCLSA-N
MW362.43 g/mol
LogP2.56
Rot. Bonds6

About N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide

N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide (PubChem CID 42158307) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide
PubChem CID42158307
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC NameN-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide
SMILESCOCc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)s1
InChIInChI=1S/C18H19FN2O3S/c1-24-11-15-5-6-16(25-15)18(23)20-14-8-17(22)21(10-14)9-12-3-2-4-13(19)7-12/h2-7,14H,8-11H2,1H3,(H,20,23)/t14-/m0/s1
InChIKeyCFYFOCZKRPCLDS-AWEZNQCLSA-N
XLogP2.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide?
The IUPAC name of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide (CID 42158307) is N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide is COCc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)s1.
What is the InChIKey of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide?
The InChIKey is CFYFOCZKRPCLDS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-24-11-15-5-6-16(25-15)18(23)20-14-8-17(22)21(10-14)9-12-3-2-4-13(19)7-12/h2-7,14H,8-11H2,1H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide?
N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(3-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-5-(methoxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 42158307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).