N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide

C19H28N2O2S — CID 70709021

IUPACN-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(Cc1ccc(SC)cc1)C(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C19H28N2O2S/c1-5-10-20(12-15-6-8-17(24-4)9-7-15)19(23)16-11-18(22)21(13-16)14(2)3/h6-9,14,16H,5,10-13H2,1-4H3
InChIKeyBWOJMNNBUSLLDK-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.40
Rot. Bonds7

About N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide

N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide (PubChem CID 70709021) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide
PubChem CID70709021
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(Cc1ccc(SC)cc1)C(=O)C1CC(=O)N(C(C)C)C1
InChIInChI=1S/C19H28N2O2S/c1-5-10-20(12-15-6-8-17(24-4)9-7-15)19(23)16-11-18(22)21(13-16)14(2)3/h6-9,14,16H,5,10-13H2,1-4H3
InChIKeyBWOJMNNBUSLLDK-UHFFFAOYSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-tert-butyl-N-ethyl-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97122756
1-butan-2-yl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 113182159
N-(3-aminopropyl)-N-benzyl-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 120649054
methyl 3-[benzyl-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55547764
(3R)-N-benzyl-N-ethyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364935
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265045
(3S)-1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9389070
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 71894789
1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 17081991
N-[(4-cyanophenyl)methyl]-1-(2-fluorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55594138
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351
1,1-dibenzyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876896

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide (CID 70709021) is N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide is CCCN(Cc1ccc(SC)cc1)C(=O)C1CC(=O)N(C(C)C)C1.
What is the InChIKey of N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide?
The InChIKey is BWOJMNNBUSLLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-5-10-20(12-15-6-8-17(24-4)9-7-15)19(23)16-11-18(22)21(13-16)14(2)3/h6-9,14,16H,5,10-13H2,1-4H3.
What are the key properties of N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide?
N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylphenyl)methyl]-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 70709021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).