[4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

C21H24N2O3S — CID 42680502

IUPAC[4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C2CN(C(=O)c3cccs3)CC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O3S/c1-15-4-6-16(7-5-15)17-13-23(21(25)19-3-2-12-27-19)14-18(17)20(24)22-8-10-26-11-9-22/h2-7,12,17-18H,8-11,13-14H2,1H3
InChIKeyIIFJUNPSCLBGDT-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.77
Rot. Bonds3

About [4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

[4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 42680502) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is [4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID42680502
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name[4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C2CN(C(=O)c3cccs3)CC2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O3S/c1-15-4-6-16(7-5-15)17-13-23(21(25)19-3-2-12-27-19)14-18(17)20(24)22-8-10-26-11-9-22/h2-7,12,17-18H,8-11,13-14H2,1H3
InChIKeyIIFJUNPSCLBGDT-UHFFFAOYSA-N
XLogP2.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 42680502) is [4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is Cc1ccc(C2CN(C(=O)c3cccs3)CC2C(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is IIFJUNPSCLBGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-15-4-6-16(7-5-15)17-13-23(21(25)19-3-2-12-27-19)14-18(17)20(24)22-8-10-26-11-9-22/h2-7,12,17-18H,8-11,13-14H2,1H3.
What are the key properties of [4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
[4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 384.50 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42680502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).