(2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide

C26H30N4O3S — CID 121253129

IUPAC(2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(CN2C[C@H](c3ccccc3)C[C@H]2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C26H30N4O3S/c1-17-12-18(2)22(19(3)13-17)16-30-15-21(20-8-5-4-6-9-20)14-23(30)26(31)29-34(32,33)25-11-7-10-24(27)28-25/h4-13,21,23H,14-16H2,1-3H3,(H2,27,28)(H,29,31)/t21-,23+/m1/s1
InChIKeyOBFPJKPOURTRDR-GGAORHGYSA-N
MW478.62 g/mol
LogP3.45
Rot. Bonds6

About (2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide

(2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 121253129) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is (2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID121253129
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name(2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cc(C)c(CN2C[C@H](c3ccccc3)C[C@H]2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C26H30N4O3S/c1-17-12-18(2)22(19(3)13-17)16-30-15-21(20-8-5-4-6-9-20)14-23(30)26(31)29-34(32,33)25-11-7-10-24(27)28-25/h4-13,21,23H,14-16H2,1-3H3,(H2,27,28)(H,29,31)/t21-,23+/m1/s1
InChIKeyOBFPJKPOURTRDR-GGAORHGYSA-N
XLogP3.45
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2R,4S)-N-[[6-(diiodoamino)-2-pyridinyl]sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 155084150
N-[(6-amino-2-pyridinyl)sulfonyl]-5-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 121251980
N-[(6-amino-2-pyridinyl)sulfonyl]-6-cyclopentyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121253671
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]hept-2-enyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252118
N-(4-aminophenyl)sulfonyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroisoindole-1-carboxamide;molecular hydrogen
CID 159288662
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,2-dimethyloxan-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251956
N-(benzenesulfonyl)-2-[(2,4,6-trimethylphenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-1-carboxamide
CID 121251294
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-methylindol-4-yl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121250568
ethyl 4-[5-[(6-amino-2-pyridinyl)sulfonylcarbamoyl]-6-(2,4,6-trimethylphenoxy)-2-pyridinyl]cyclohex-3-ene-1-carboxylate
CID 121250794
N-[(6-amino-2-pyridinyl)sulfonyl]-6-propan-2-yloxy-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251198
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,6-dimethoxyphenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252901
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-chlorophenyl)-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121251275

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide (CID 121253129) is (2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide is Cc1cc(C)c(CN2C[C@H](c3ccccc3)C[C@H]2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.
What is the InChIKey of (2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is OBFPJKPOURTRDR-GGAORHGYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-17-12-18(2)22(19(3)13-17)16-30-15-21(20-8-5-4-6-9-20)14-23(30)26(31)29-34(32,33)25-11-7-10-24(27)28-25/h4-13,21,23H,14-16H2,1-3H3,(H2,27,28)(H,29,31)/t21-,23+/m1/s1.
What are the key properties of (2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 121253129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).