(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide

C26H25N3O5S — CID 122686083

IUPAC(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2cnccc2o1
InChIInChI=1S/C26H25N3O5S/c30-26(28-16-20-8-4-9-22(14-20)33-18-19-6-2-1-3-7-19)23-10-5-13-29(23)35(31,32)25-15-21-17-27-12-11-24(21)34-25/h1-4,6-9,11-12,14-15,17,23H,5,10,13,16,18H2,(H,28,30)/t23-/m0/s1
InChIKeyRQMNRXMXHVWBOD-QHCPKHFHSA-N
MW491.57 g/mol
LogP3.88
Rot. Bonds8

About (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide

(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 122686083) has the molecular formula C26H25N3O5S and a molecular weight of 491.57 g/mol. Its IUPAC name is (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID122686083
Molecular FormulaC26H25N3O5S
Molecular Weight491.57 g/mol
Exact Mass491.15
IUPAC Name(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2cnccc2o1
InChIInChI=1S/C26H25N3O5S/c30-26(28-16-20-8-4-9-22(14-20)33-18-19-6-2-1-3-7-19)23-10-5-13-29(23)35(31,32)25-15-21-17-27-12-11-24(21)34-25/h1-4,6-9,11-12,14-15,17,23H,5,10,13,16,18H2,(H,28,30)/t23-/m0/s1
InChIKeyRQMNRXMXHVWBOD-QHCPKHFHSA-N
XLogP3.88
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide (CID 122686083) is (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1cccc(OCc2ccccc2)c1)[C@@H]1CCCN1S(=O)(=O)c1cc2cnccc2o1.
What is the InChIKey of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is RQMNRXMXHVWBOD-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H25N3O5S/c30-26(28-16-20-8-4-9-22(14-20)33-18-19-6-2-1-3-7-19)23-10-5-13-29(23)35(31,32)25-15-21-17-27-12-11-24(21)34-25/h1-4,6-9,11-12,14-15,17,23H,5,10,13,16,18H2,(H,28,30)/t23-/m0/s1.
What are the key properties of (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide?
(2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-furo[3,2-c]pyridin-2-ylsulfonyl-N-[(3-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122686083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).