N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide

C26H27N3O4S — CID 59165972

IUPACN-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1)C1(c2ccccc2)CC1
InChIInChI=1S/C26H27N3O4S/c30-18-21-8-5-17-29(21)34(32,33)22-13-11-19(12-14-22)23-9-4-10-24(27-23)28-25(31)26(15-16-26)20-6-2-1-3-7-20/h1-4,6-7,9-14,21,30H,5,8,15-18H2,(H,27,28,31)/t21-/m1/s1
InChIKeyRHGQNBUZNTUFGT-OAQYLSRUSA-N
MW477.59 g/mol
LogP3.56
Rot. Bonds7

About N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide

N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 59165972) has the molecular formula C26H27N3O4S and a molecular weight of 477.59 g/mol. Its IUPAC name is N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID59165972
Molecular FormulaC26H27N3O4S
Molecular Weight477.59 g/mol
Exact Mass477.17
IUPAC NameN-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1)C1(c2ccccc2)CC1
InChIInChI=1S/C26H27N3O4S/c30-18-21-8-5-17-29(21)34(32,33)22-13-11-19(12-14-22)23-9-4-10-24(27-23)28-25(31)26(15-16-26)20-6-2-1-3-7-20/h1-4,6-7,9-14,21,30H,5,8,15-18H2,(H,27,28,31)/t21-/m1/s1
InChIKeyRHGQNBUZNTUFGT-OAQYLSRUSA-N
XLogP3.56
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide (CID 59165972) is N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide is O=C(Nc1cccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)n1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is RHGQNBUZNTUFGT-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H27N3O4S/c30-18-21-8-5-17-29(21)34(32,33)22-13-11-19(12-14-22)23-9-4-10-24(27-23)28-25(31)26(15-16-26)20-6-2-1-3-7-20/h1-4,6-7,9-14,21,30H,5,8,15-18H2,(H,27,28,31)/t21-/m1/s1.
What are the key properties of N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide?
N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 59165972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).