N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide

C17H19ClN4O2S — CID 110246546

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1nnsc1C(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H19ClN4O2S/c1-11-15(25-21-20-11)17(24)22-9-7-13(10-22)16(23)19-8-6-12-2-4-14(18)5-3-12/h2-5,13H,6-10H2,1H3,(H,19,23)
InChIKeyQZDCWNCTLCFGDK-UHFFFAOYSA-N
MW378.89 g/mol
LogP2.32
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide (PubChem CID 110246546) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide
PubChem CID110246546
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide
SMILESCc1nnsc1C(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H19ClN4O2S/c1-11-15(25-21-20-11)17(24)22-9-7-13(10-22)16(23)19-8-6-12-2-4-14(18)5-3-12/h2-5,13H,6-10H2,1H3,(H,19,23)
InChIKeyQZDCWNCTLCFGDK-UHFFFAOYSA-N
XLogP2.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 110246506
N-[2-(4-chlorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110853463
(3S)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081950
(3R)-3-N-[2-(4-chlorophenyl)ethyl]piperidine-1,3-dicarboxamide
CID 9081948
1-acetyl-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide;3-methyl-1,2,4-oxadiazole
CID 178170559
N-[2-(4-chlorophenyl)ethyl]-1-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 110246471
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113005012
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
N-[2-(4-chlorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946563
N-[2-(4-aminophenyl)ethyl]-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119548062
(3R)-1-[2-(benzotriazol-1-yl)acetyl]-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 92633431
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide (CID 110246546) is N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide is Cc1nnsc1C(=O)N1CCC(C(=O)NCCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide?
The InChIKey is QZDCWNCTLCFGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c1-11-15(25-21-20-11)17(24)22-9-7-13(10-22)16(23)19-8-6-12-2-4-14(18)5-3-12/h2-5,13H,6-10H2,1H3,(H,19,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide has a molecular weight of 378.89 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 110246546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).