(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide

C27H23N3O4S2 — CID 118636335

IUPAC(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C([C@@H](NS(=O)(=O)c1ccc2ncccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C27H23N3O4S2/c31-27(30(18-22-10-5-15-34-22)19-23-11-6-16-35-23)26(20-7-2-1-3-8-20)29-36(32,33)24-12-13-25-21(17-24)9-4-14-28-25/h1-17,26,29H,18-19H2/t26-/m0/s1
InChIKeyVMFLWTPNXBEDMT-SANMLTNESA-N
MW517.63 g/mol
LogP5.14
Rot. Bonds9

About (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide

(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 118636335) has the molecular formula C27H23N3O4S2 and a molecular weight of 517.63 g/mol. Its IUPAC name is (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID118636335
Molecular FormulaC27H23N3O4S2
Molecular Weight517.63 g/mol
Exact Mass517.11
IUPAC Name(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C([C@@H](NS(=O)(=O)c1ccc2ncccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C27H23N3O4S2/c31-27(30(18-22-10-5-15-34-22)19-23-11-6-16-35-23)26(20-7-2-1-3-8-20)29-36(32,33)24-12-13-25-21(17-24)9-4-14-28-25/h1-17,26,29H,18-19H2/t26-/m0/s1
InChIKeyVMFLWTPNXBEDMT-SANMLTNESA-N
XLogP5.14
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.63
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide (CID 118636335) is (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide is O=C([C@@H](NS(=O)(=O)c1ccc2ncccc2c1)c1ccccc1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VMFLWTPNXBEDMT-SANMLTNESA-N. The full InChI is InChI=1S/C27H23N3O4S2/c31-27(30(18-22-10-5-15-34-22)19-23-11-6-16-35-23)26(20-7-2-1-3-8-20)29-36(32,33)24-12-13-25-21(17-24)9-4-14-28-25/h1-17,26,29H,18-19H2/t26-/m0/s1.
What are the key properties of (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide?
(2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 517.63 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(furan-2-ylmethyl)-2-phenyl-2-(quinolin-6-ylsulfonylamino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 118636335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).