(2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide

C23H24N2O3S — CID 91970932

IUPAC(2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C23H24N2O3S/c1-16-13-17(2)15-19(14-16)24-23(26)21-10-6-12-25(21)29(27,28)22-11-5-8-18-7-3-4-9-20(18)22/h3-5,7-9,11,13-15,21H,6,10,12H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyQUQHHANCUPQZDA-NRFANRHFSA-N
MW408.52 g/mol
LogP4.25
Rot. Bonds4

About (2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide

(2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 91970932) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID91970932
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name(2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C23H24N2O3S/c1-16-13-17(2)15-19(14-16)24-23(26)21-10-6-12-25(21)29(27,28)22-11-5-8-18-7-3-4-9-20(18)22/h3-5,7-9,11,13-15,21H,6,10,12H2,1-2H3,(H,24,26)/t21-/m0/s1
InChIKeyQUQHHANCUPQZDA-NRFANRHFSA-N
XLogP4.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-{4-[({1-[(2S)-pyrrolidin-2-ylcarbonyl]piperidin-4-yl}amino)sulfonyl]-1-naphthyl}benzamide
CID 10006907
N-benzyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-propan-2-ylacetamide
CID 2099879
2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-(4-methylphenyl)acetamide
CID 2347280
2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-prop-2-enylacetamide
CID 2435704
N-cyclohexyl-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetamide
CID 2444564
2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-phenylacetamide
CID 2446015
2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2462906
2-(1,1-dioxido-2H-naphtho[1,8-cd]isothiazol-2-yl)-N-methylpropanamide
CID 2969207
N-(5-{[(tert-butyl)amino]sulfonyl}naphthyl)-3-phenyl-2-(phenylcarbonylamino)pr opanamide
CID 4060978
Dan-D-Tic-NHOH
CID 10717277
3-[(S)-3-(7-Methylamino-naphthalene-2-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-benzamidine
CID 10789777
((+/-)-N-(4-{[(1-butyrylpyrrolidin-3-yl)amino]sulfonyl}-1-naphthyl)-2-methylbenzamide
CID 16105832

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide (CID 91970932) is (2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide is Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)c1.
What is the InChIKey of (2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is QUQHHANCUPQZDA-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-16-13-17(2)15-19(14-16)24-23(26)21-10-6-12-25(21)29(27,28)22-11-5-8-18-7-3-4-9-20(18)22/h3-5,7-9,11,13-15,21H,6,10,12H2,1-2H3,(H,24,26)/t21-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide?
(2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethylphenyl)-1-naphthalen-1-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 91970932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).