N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide

C21H22N4O2S — CID 154753041

IUPACN-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN1c1nc(-c2ccccc2)ns1
InChIInChI=1S/C21H22N4O2S/c1-14-10-11-18(27-2)16(13-14)22-20(26)17-9-6-12-25(17)21-23-19(24-28-21)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,6,9,12H2,1-2H3,(H,22,26)
InChIKeyRVRPAOPSMDVRRO-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.13
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide

N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 154753041) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID154753041
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCCN1c1nc(-c2ccccc2)ns1
InChIInChI=1S/C21H22N4O2S/c1-14-10-11-18(27-2)16(13-14)22-20(26)17-9-6-12-25(17)21-23-19(24-28-21)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,6,9,12H2,1-2H3,(H,22,26)
InChIKeyRVRPAOPSMDVRRO-UHFFFAOYSA-N
XLogP4.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-1-(2-pyridin-4-ylquinazolin-4-yl)pyrrolidine-2-carboxamide
CID 133307081
1-(1,3-benzoxazol-2-yl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 133307057
N-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 133307077
N-(2-methoxy-5-methylphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114976
tert-butyl (2R)-2-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 41373974
2-N-(2-methoxy-5-methylphenyl)-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 43814288
1-(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 2985320
5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole
CID 133345318
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 86969556
1-[1-(2-chlorophenyl)pyrazole-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 86967980
N-(2-methoxy-5-methylphenyl)-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxamide
CID 119327957
(2S)-1-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910879

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide (CID 154753041) is N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide is COc1ccc(C)cc1NC(=O)C1CCCN1c1nc(-c2ccccc2)ns1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is RVRPAOPSMDVRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-14-10-11-18(27-2)16(13-14)22-20(26)17-9-6-12-25(17)21-23-19(24-28-21)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,17H,6,9,12H2,1-2H3,(H,22,26).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 154753041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).