N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C18H20N2O2S — CID 3130748

IUPACN-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN2C(=O)c2cccs2)c(C)c1
InChIInChI=1S/C18H20N2O2S/c1-12-7-8-14(13(2)11-12)19-17(21)15-5-3-9-20(15)18(22)16-6-4-10-23-16/h4,6-8,10-11,15H,3,5,9H2,1-2H3,(H,19,21)
InChIKeyPRUCKCJFCSXWAC-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.61
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 3130748) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID3130748
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN2C(=O)c2cccs2)c(C)c1
InChIInChI=1S/C18H20N2O2S/c1-12-7-8-14(13(2)11-12)19-17(21)15-5-3-9-20(15)18(22)16-6-4-10-23-16/h4,6-8,10-11,15H,3,5,9H2,1-2H3,(H,19,21)
InChIKeyPRUCKCJFCSXWAC-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 3130748) is N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)C2CCCN2C(=O)c2cccs2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is PRUCKCJFCSXWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12-7-8-14(13(2)11-12)19-17(21)15-5-3-9-20(15)18(22)16-6-4-10-23-16/h4,6-8,10-11,15H,3,5,9H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3130748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).