(2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide

C14H14Cl2N4O4S — CID 9188252

IUPAC(2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)c1nnc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C14H14Cl2N4O4S/c1-25(22,23)14-19-18-12(24-14)11-3-2-6-20(11)13(21)17-8-4-5-9(15)10(16)7-8/h4-5,7,11H,2-3,6H2,1H3,(H,17,21)/t11-/m0/s1
InChIKeyIKMFKDQJGOPUOS-NSHDSACASA-N
MW405.26 g/mol
LogP3.15
Rot. Bonds3

About (2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide

(2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 9188252) has the molecular formula C14H14Cl2N4O4S and a molecular weight of 405.26 g/mol. Its IUPAC name is (2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID9188252
Molecular FormulaC14H14Cl2N4O4S
Molecular Weight405.26 g/mol
Exact Mass404.01
IUPAC Name(2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCS(=O)(=O)c1nnc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C14H14Cl2N4O4S/c1-25(22,23)14-19-18-12(24-14)11-3-2-6-20(11)13(21)17-8-4-5-9(15)10(16)7-8/h4-5,7,11H,2-3,6H2,1H3,(H,17,21)/t11-/m0/s1
InChIKeyIKMFKDQJGOPUOS-NSHDSACASA-N
XLogP3.15
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 9188056
(2S)-N-(3,4-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7410850
2-methyl-1-[(2S)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 11937581
(2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7288640
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
N-[4-chloro-3-[1-(cyclopropylmethyl)-1,2,4-triazol-3-yl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
CID 176940356
5-[1-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamoyl]pyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 119036537
N-[4-chloro-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 176940271
(2R)-N-(3-chloro-4-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139024
N-(3,4-dichlorophenyl)-2-(methylaminomethyl)piperidine-1-carboxamide
CID 63250141
(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide
CID 97074871
(2S)-N-(3-chloro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550968

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide (CID 9188252) is (2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide is CS(=O)(=O)c1nnc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of (2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is IKMFKDQJGOPUOS-NSHDSACASA-N. The full InChI is InChI=1S/C14H14Cl2N4O4S/c1-25(22,23)14-19-18-12(24-14)11-3-2-6-20(11)13(21)17-8-4-5-9(15)10(16)7-8/h4-5,7,11H,2-3,6H2,1H3,(H,17,21)/t11-/m0/s1.
What are the key properties of (2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide?
(2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 405.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4-dichlorophenyl)-2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 9188252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).