4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride

C15H23ClN2O2S — CID 119551947

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCc1cc(C(=O)CCC(=O)N(C)C2CCNC2)c(C)s1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-10-8-13(11(2)20-10)14(18)4-5-15(19)17(3)12-6-7-16-9-12;/h8,12,16H,4-7,9H2,1-3H3;1H
InChIKeyPDOUJEQFERIVAR-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.57
Rot. Bonds5

About 4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride

4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride (PubChem CID 119551947) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride
PubChem CID119551947
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCc1cc(C(=O)CCC(=O)N(C)C2CCNC2)c(C)s1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-10-8-13(11(2)20-10)14(18)4-5-15(19)17(3)12-6-7-16-9-12;/h8,12,16H,4-7,9H2,1-3H3;1H
InChIKeyPDOUJEQFERIVAR-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride
CID 119442940
N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119554778
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide
CID 119442941
N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553749
4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119554642
3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551855
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide
CID 119550914
N-methyl-4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119553689
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N,3,5-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551819
N,2-dimethyl-N-pyrrolidin-3-yl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119554205

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride (CID 119551947) is 4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride is Cc1cc(C(=O)CCC(=O)N(C)C2CCNC2)c(C)s1.Cl.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The InChIKey is PDOUJEQFERIVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-10-8-13(11(2)20-10)14(18)4-5-15(19)17(3)12-6-7-16-9-12;/h8,12,16H,4-7,9H2,1-3H3;1H.
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride?
4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119551947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).