(4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide

C78H82N4O8S2 — CID 142043590

IUPAC(4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1C[C@@H](Oc2ccc(O[C@H]3C[C@H](C(=O)NC(CCCc4ccccc4)CCCc4ccccc4)N(S(=O)(=O)c4ccc(-c5ccccc5)cc4)C3)cc2)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C78H82N4O8S2/c83-77(79-67(39-19-31-59-23-7-1-8-24-59)40-20-32-60-25-9-2-10-26-60)75-55-71(57-81(75)91(85,86)73-51-43-65(44-52-73)63-35-15-5-16-36-63)89-69-47-49-70(50-48-69)90-72-56-76(82(58-72)92(87,88)74-53-45-66(46-54-74)64-37-17-6-18-38-64)78(84)80-68(41-21-33-61-27-11-3-12-28-61)42-22-34-62-29-13-4-14-30-62/h1-18,23-30,35-38,43-54,67-68,71-72,75-76H,19-22,31-34,39-42,55-58H2,(H,79,83)(H,80,84)/t71-,72+,75+,76?/m0/s1
InChIKeyHLENYAXZOVKDTF-CMNLOOFCSA-N
MW1267.67 g/mol
LogP14.50
Rot. Bonds30

About (4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide

(4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 142043590) has the molecular formula C78H82N4O8S2 and a molecular weight of 1267.67 g/mol. Its IUPAC name is (4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID142043590
Molecular FormulaC78H82N4O8S2
Molecular Weight1267.67 g/mol
Exact Mass1266.56
IUPAC Name(4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1C[C@@H](Oc2ccc(O[C@H]3C[C@H](C(=O)NC(CCCc4ccccc4)CCCc4ccccc4)N(S(=O)(=O)c4ccc(-c5ccccc5)cc4)C3)cc2)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C78H82N4O8S2/c83-77(79-67(39-19-31-59-23-7-1-8-24-59)40-20-32-60-25-9-2-10-26-60)75-55-71(57-81(75)91(85,86)73-51-43-65(44-52-73)63-35-15-5-16-36-63)89-69-47-49-70(50-48-69)90-72-56-76(82(58-72)92(87,88)74-53-45-66(46-54-74)64-37-17-6-18-38-64)78(84)80-68(41-21-33-61-27-11-3-12-28-61)42-22-34-62-29-13-4-14-30-62/h1-18,23-30,35-38,43-54,67-68,71-72,75-76H,19-22,31-34,39-42,55-58H2,(H,79,83)(H,80,84)/t71-,72+,75+,76?/m0/s1
InChIKeyHLENYAXZOVKDTF-CMNLOOFCSA-N
XLogP14.50
TPSA151.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001267.67
LogP ≤ 514.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide
CID 169284552
tert-butyl (2S,4S)-2-[[(2S)-1-(benzenesulfonamido)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-4-(4-phenylphenoxy)pyrrolidine-1-carboxylate
CID 73214403
(2R,4S)-1-(4-fluorophenyl)sulfonyl-N-(2-methoxyethyl)-4-phenoxypyrrolidine-2-carboxamide
CID 110196927
methyl (2S,4S)-1-(3,4-dimethoxyphenyl)sulfonyl-4-phenoxypyrrolidine-2-carboxylate
CID 59908685
benzyl (2S)-2-[[(2S)-4-fluoro-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-phenylpropanoate
CID 18714212
1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 169284615
tert-butyl (2S,4S)-2-[[(2S)-1-[(4-chloro-3-nitrophenyl)sulfonylamino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamoyl]-4-(4-phenylphenoxy)pyrrolidine-1-carboxylate
CID 134142985
methyl 4-(2-fluorophenoxy)-1-[4-(3-methylphenyl)phenyl]sulfonylpyrrolidine-2-carboxylate
CID 90620477
methyl 1-(4-dodecylphenyl)sulfonylaziridine-2-carboxylate
CID 167345324
1-amino-N-(1,7-diphenylheptan-4-yl)piperidine-3-carboxamide
CID 142137849
[(2R,4S)-1-(benzenesulfonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110196831
methyl 4-(2-fluorophenoxy)-1-(3-phenylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 90620484

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 142043590) is (4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NC(CCCc1ccccc1)CCCc1ccccc1)C1C[C@@H](Oc2ccc(O[C@H]3C[C@H](C(=O)NC(CCCc4ccccc4)CCCc4ccccc4)N(S(=O)(=O)c4ccc(-c5ccccc5)cc4)C3)cc2)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is HLENYAXZOVKDTF-CMNLOOFCSA-N. The full InChI is InChI=1S/C78H82N4O8S2/c83-77(79-67(39-19-31-59-23-7-1-8-24-59)40-20-32-60-25-9-2-10-26-60)75-55-71(57-81(75)91(85,86)73-51-43-65(44-52-73)63-35-15-5-16-36-63)89-69-47-49-70(50-48-69)90-72-56-76(82(58-72)92(87,88)74-53-45-66(46-54-74)64-37-17-6-18-38-64)78(84)80-68(41-21-33-61-27-11-3-12-28-61)42-22-34-62-29-13-4-14-30-62/h1-18,23-30,35-38,43-54,67-68,71-72,75-76H,19-22,31-34,39-42,55-58H2,(H,79,83)(H,80,84)/t71-,72+,75+,76?/m0/s1.
What are the key properties of (4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide?
(4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 1267.67 g/mol, XLogP of 14.50, 30 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(1,7-diphenylheptan-4-yl)-4-[4-[(3S,5R)-5-(1,7-diphenylheptan-4-ylcarbamoyl)-1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxyphenoxy]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 142043590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).