(2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide

C19H19FN2O4S — CID 93072342

IUPAC(2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C19H19FN2O4S/c1-12-3-7-15(8-4-12)27(25,26)22-17(9-10-18(22)23)19(24)21-14-6-5-13(2)16(20)11-14/h3-8,11,17H,9-10H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyGXAQKTOKLWEECD-KRWDZBQOSA-N
MW390.44 g/mol
LogP2.76
Rot. Bonds4

About (2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 93072342) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is (2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
PubChem CID93072342
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name(2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(C)c(F)c2)cc1
InChIInChI=1S/C19H19FN2O4S/c1-12-3-7-15(8-4-12)27(25,26)22-17(9-10-18(22)23)19(24)21-14-6-5-13(2)16(20)11-14/h3-8,11,17H,9-10H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKeyGXAQKTOKLWEECD-KRWDZBQOSA-N
XLogP2.76
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide (CID 93072342) is (2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc(C)c(F)c2)cc1.
What is the InChIKey of (2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is GXAQKTOKLWEECD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-12-3-7-15(8-4-12)27(25,26)22-17(9-10-18(22)23)19(24)21-14-6-5-13(2)16(20)11-14/h3-8,11,17H,9-10H2,1-2H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 93072342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).