(2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

C16H19ClN2O2S — CID 94061700

IUPAC(2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCSc1ccc(Cl)c(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1
InChIInChI=1S/C16H19ClN2O2S/c1-22-11-6-7-13(17)12(9-11)16(21)19-8-2-3-14(19)15(20)18-10-4-5-10/h6-7,9-10,14H,2-5,8H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyVXTBDIIZWRJPIG-CQSZACIVSA-N
MW338.86 g/mol
LogP2.95
Rot. Bonds4

About (2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

(2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 94061700) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is (2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID94061700
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name(2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCSc1ccc(Cl)c(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1
InChIInChI=1S/C16H19ClN2O2S/c1-22-11-6-7-13(17)12(9-11)16(21)19-8-2-3-14(19)15(20)18-10-4-5-10/h6-7,9-10,14H,2-5,8H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyVXTBDIIZWRJPIG-CQSZACIVSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061701
1-(2,5-dichlorobenzoyl)-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 55849133
2-[1-(2-chloro-5-methylsulfanylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371464
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
(2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061702
(2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562535
1-(2,5-dichlorobenzoyl)-N-piperidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119424492
(2S)-1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-(1-cyclopropylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 39977041
1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 80973644
methyl 1-(2-methyl-5-methylsulfanylbenzoyl)pyrrolidine-2-carboxylate
CID 43423145
[2-(2-chloroethyl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 63393444
(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78776798

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 94061700) is (2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide is CSc1ccc(Cl)c(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)c1.
What is the InChIKey of (2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is VXTBDIIZWRJPIG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-22-11-6-7-13(17)12(9-11)16(21)19-8-2-3-14(19)15(20)18-10-4-5-10/h6-7,9-10,14H,2-5,8H2,1H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
(2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 338.86 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloro-5-methylsulfanylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 94061700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).