(3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide

C19H26N2O4S — CID 31824190

IUPAC(3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
SMILESCCCc1ccc(N2C[C@@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)CC2=O)cc1
InChIInChI=1S/C19H26N2O4S/c1-3-4-14-5-7-16(8-6-14)21-12-15(11-17(21)22)18(23)20-19(2)9-10-26(24,25)13-19/h5-8,15H,3-4,9-13H2,1-2H3,(H,20,23)/t15-,19-/m0/s1
InChIKeyFFMKSIXKXSFOLU-KXBFYZLASA-N
MW378.49 g/mol
LogP1.69
Rot. Bonds5

About (3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide

(3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide (PubChem CID 31824190) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is (3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
PubChem CID31824190
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name(3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
SMILESCCCc1ccc(N2C[C@@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)CC2=O)cc1
InChIInChI=1S/C19H26N2O4S/c1-3-4-14-5-7-16(8-6-14)21-12-15(11-17(21)22)18(23)20-19(2)9-10-26(24,25)13-19/h5-8,15H,3-4,9-13H2,1-2H3,(H,20,23)/t15-,19-/m0/s1
InChIKeyFFMKSIXKXSFOLU-KXBFYZLASA-N
XLogP1.69
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 41137290
1-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 120688398
(3S)-1-(3-bromophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 51935549
(2R)-2-[[5-oxo-1-(4-propylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119370329
1-(4-butylphenyl)-N-(1,1-dioxothiolan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 42952897
N-(2-amino-2-methylpropyl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119628581
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 119523528
1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47160631
N-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 42890394
N-[2-(4-methylpiperazin-1-yl)phenyl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 43059671
1-[[(3S)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 95619416
(3R)-5-oxo-1-(4-propylphenyl)-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 51935594

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide (CID 31824190) is (3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide is CCCc1ccc(N2C[C@@H](C(=O)N[C@@]3(C)CCS(=O)(=O)C3)CC2=O)cc1.
What is the InChIKey of (3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is FFMKSIXKXSFOLU-KXBFYZLASA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-3-4-14-5-7-16(8-6-14)21-12-15(11-17(21)22)18(23)20-19(2)9-10-26(24,25)13-19/h5-8,15H,3-4,9-13H2,1-2H3,(H,20,23)/t15-,19-/m0/s1.
What are the key properties of (3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide?
(3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 378.49 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxo-1-(4-propylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 31824190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).