(2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide

C22H26N2O4S — CID 93059288

IUPAC(2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C22H26N2O4S/c1-16(2)23(15-18-7-5-4-6-8-18)22(26)20-13-14-21(25)24(20)29(27,28)19-11-9-17(3)10-12-19/h4-12,16,20H,13-15H2,1-3H3/t20-/m1/s1
InChIKeyJZVDWBLGWMRDMO-HXUWFJFHSA-N
MW414.53 g/mol
LogP3.11
Rot. Bonds6

About (2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide

(2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 93059288) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is (2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID93059288
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name(2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C22H26N2O4S/c1-16(2)23(15-18-7-5-4-6-8-18)22(26)20-13-14-21(25)24(20)29(27,28)19-11-9-17(3)10-12-19/h4-12,16,20H,13-15H2,1-3H3/t20-/m1/s1
InChIKeyJZVDWBLGWMRDMO-HXUWFJFHSA-N
XLogP3.11
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide (CID 93059288) is (2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)N(Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of (2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is JZVDWBLGWMRDMO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-16(2)23(15-18-7-5-4-6-8-18)22(26)20-13-14-21(25)24(20)29(27,28)19-11-9-17(3)10-12-19/h4-12,16,20H,13-15H2,1-3H3/t20-/m1/s1.
What are the key properties of (2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide?
(2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 414.53 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-1-(4-methylphenyl)sulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 93059288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).