(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide

C27H23N3O3S2 — CID 129227867

IUPAC(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C([C@H](NS(=O)c1ccc2ncccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C27H23N3O3S2/c31-27(30(18-22-10-5-15-33-22)19-23-11-6-16-34-23)26(20-7-2-1-3-8-20)29-35(32)24-12-13-25-21(17-24)9-4-14-28-25/h1-17,26,29H,18-19H2/t26-,35?/m1/s1
InChIKeyPPBIRYQBNILABP-NAVQMUAQSA-N
MW501.63 g/mol
LogP5.47
Rot. Bonds9

About (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide

(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 129227867) has the molecular formula C27H23N3O3S2 and a molecular weight of 501.63 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID129227867
Molecular FormulaC27H23N3O3S2
Molecular Weight501.63 g/mol
Exact Mass501.12
IUPAC Name(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C([C@H](NS(=O)c1ccc2ncccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C27H23N3O3S2/c31-27(30(18-22-10-5-15-33-22)19-23-11-6-16-34-23)26(20-7-2-1-3-8-20)29-35(32)24-12-13-25-21(17-24)9-4-14-28-25/h1-17,26,29H,18-19H2/t26-,35?/m1/s1
InChIKeyPPBIRYQBNILABP-NAVQMUAQSA-N
XLogP5.47
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide (CID 129227867) is (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide is O=C([C@H](NS(=O)c1ccc2ncccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is PPBIRYQBNILABP-NAVQMUAQSA-N. The full InChI is InChI=1S/C27H23N3O3S2/c31-27(30(18-22-10-5-15-33-22)19-23-11-6-16-34-23)26(20-7-2-1-3-8-20)29-35(32)24-12-13-25-21(17-24)9-4-14-28-25/h1-17,26,29H,18-19H2/t26-,35?/m1/s1.
What are the key properties of (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide?
(2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 501.63 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfinylamino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 129227867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).