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

C26H28I2N4O3S — CID 155084150

IUPAC(2R,4S)-N-[[6-(diiodoamino)-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(I)I)n2)c(C)c1
InChIInChI=1S/C26H28I2N4O3S/c1-17-12-18(2)22(19(3)13-17)16-31-15-21(20-8-5-4-6-9-20)14-23(31)26(33)30-36(34,35)25-11-7-10-24(29-25)32(27)28/h4-13,21,23H,14-16H2,1-3H3,(H,30,33)/t21-,23-/m1/s1
InChIKeyUSNKXDLTQOWTKO-FYYLOGMGSA-N
MW730.41 g/mol
LogP5.38
Rot. Bonds7

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

(2R,4S)-N-[[6-(diiodoamino)-2-pyridinyl]sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 155084150) has the molecular formula C26H28I2N4O3S and a molecular weight of 730.41 g/mol. Its IUPAC name is (2R,4S)-N-[[6-(diiodoamino)-2-pyridinyl]sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-N-[[6-(diiodoamino)-2-pyridinyl]sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID155084150
Molecular FormulaC26H28I2N4O3S
Molecular Weight730.41 g/mol
Exact Mass730.00
IUPAC Name(2R,4S)-N-[[6-(diiodoamino)-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(I)I)n2)c(C)c1
InChIInChI=1S/C26H28I2N4O3S/c1-17-12-18(2)22(19(3)13-17)16-31-15-21(20-8-5-4-6-9-20)14-23(31)26(33)30-36(34,35)25-11-7-10-24(29-25)32(27)28/h4-13,21,23H,14-16H2,1-3H3,(H,30,33)/t21-,23-/m1/s1
InChIKeyUSNKXDLTQOWTKO-FYYLOGMGSA-N
XLogP5.38
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-N-[(6-amino-2-pyridinyl)sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 121253129
N-[(6-amino-2-pyridinyl)sulfonyl]-5-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 121251980
N-(benzenesulfonyl)-2-[(2,4,6-trimethylphenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-1-carboxamide
CID 121251294
N-(4-aminophenyl)sulfonyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dihydroisoindole-1-carboxamide;molecular hydrogen
CID 159288662
N-[(6-acetamido-2-pyridinyl)sulfonyl]-4-ethoxy-1-methyl-2-[(2,4,6-trimethylphenyl)methyl]-3H-isoindole-1-carboxamide
CID 121252242
2-(2-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 119135565
1-(benzenesulfonyl)-N-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 78851954
2-[(6-methoxy-2-pyridinyl)sulfonyl]-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone
CID 159859636
(3S,5S)-1-benzyl-N-(4-methoxyphenyl)-5-(3-methylphenyl)piperidine-3-carboxamide
CID 92996083
2,4,6-trimethyl-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895086
methyl 1-[[2,6-dimethyl-4-(1-phenylazetidin-3-yl)phenyl]methyl]piperidine-4-carboxylate
CID 166534524
N-(benzenesulfonyl)-3-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121250562

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-N-[[6-(diiodoamino)-2-pyridinyl]sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-N-[[6-(diiodoamino)-2-pyridinyl]sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide (CID 155084150) is (2R,4S)-N-[[6-(diiodoamino)-2-pyridinyl]sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-N-[[6-(diiodoamino)-2-pyridinyl]sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-N-[[6-(diiodoamino)-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(I)I)n2)c(C)c1.
What is the InChIKey of (2R,4S)-N-[[6-(diiodoamino)-2-pyridinyl]sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is USNKXDLTQOWTKO-FYYLOGMGSA-N. The full InChI is InChI=1S/C26H28I2N4O3S/c1-17-12-18(2)22(19(3)13-17)16-31-15-21(20-8-5-4-6-9-20)14-23(31)26(33)30-36(34,35)25-11-7-10-24(29-25)32(27)28/h4-13,21,23H,14-16H2,1-3H3,(H,30,33)/t21-,23-/m1/s1.
What are the key properties of (2R,4S)-N-[[6-(diiodoamino)-2-pyridinyl]sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide?
(2R,4S)-N-[[6-(diiodoamino)-2-pyridinyl]sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 730.41 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-N-[[6-(diiodoamino)-2-pyridinyl]sulfonyl]-4-phenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155084150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).