N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide

C27H29N3O5S — CID 4237814

IUPACN-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
SMILESCOCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C27H29N3O5S/c1-34-19-17-30(36(32,33)25-13-5-10-23-11-6-15-28-27(23)25)21-26(31)29(20-24-12-7-18-35-24)16-14-22-8-3-2-4-9-22/h2-13,15,18H,14,16-17,19-21H2,1H3
InChIKeyGSXIQUYVKIMKOB-UHFFFAOYSA-N
MW507.61 g/mol
LogP3.74
Rot. Bonds12

About N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide

N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide (PubChem CID 4237814) has the molecular formula C27H29N3O5S and a molecular weight of 507.61 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
PubChem CID4237814
Molecular FormulaC27H29N3O5S
Molecular Weight507.61 g/mol
Exact Mass507.18
IUPAC NameN-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
SMILESCOCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C27H29N3O5S/c1-34-19-17-30(36(32,33)25-13-5-10-23-11-6-15-28-27(23)25)21-26(31)29(20-24-12-7-18-35-24)16-14-22-8-3-2-4-9-22/h2-13,15,18H,14,16-17,19-21H2,1H3
InChIKeyGSXIQUYVKIMKOB-UHFFFAOYSA-N
XLogP3.74
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.61
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 3953201
N-(furan-2-ylmethyl)-2-[3-methoxypropyl(quinolin-8-ylsulfonyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5223872
2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911798
2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4312490
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 4030296
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 42664764
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 3924733
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3911576
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 3880585
N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 3317247
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)-N-(2-phenylethyl)acetamide
CID 24715047
N-benzyl-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 42773241

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide (CID 4237814) is N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide is COCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
The InChIKey is GSXIQUYVKIMKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5S/c1-34-19-17-30(36(32,33)25-13-5-10-23-11-6-15-28-27(23)25)21-26(31)29(20-24-12-7-18-35-24)16-14-22-8-3-2-4-9-22/h2-13,15,18H,14,16-17,19-21H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide has a molecular weight of 507.61 g/mol, XLogP of 3.74, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4237814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).