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

C28H31N3O4S — CID 3953201

IUPACN-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C28H31N3O4S/c1-22(2)19-31(36(33,34)26-14-6-11-24-12-7-16-29-28(24)26)21-27(32)30(20-25-13-8-18-35-25)17-15-23-9-4-3-5-10-23/h3-14,16,18,22H,15,17,19-21H2,1-2H3
InChIKeyUIZWYKLATAMSMU-UHFFFAOYSA-N
MW505.64 g/mol
LogP4.75
Rot. Bonds11

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

N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide (PubChem CID 3953201) has the molecular formula C28H31N3O4S and a molecular weight of 505.64 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
PubChem CID3953201
Molecular FormulaC28H31N3O4S
Molecular Weight505.64 g/mol
Exact Mass505.20
IUPAC NameN-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C28H31N3O4S/c1-22(2)19-31(36(33,34)26-14-6-11-24-12-7-16-29-28(24)26)21-27(32)30(20-25-13-8-18-35-25)17-15-23-9-4-3-5-10-23/h3-14,16,18,22H,15,17,19-21H2,1-2H3
InChIKeyUIZWYKLATAMSMU-UHFFFAOYSA-N
XLogP4.75
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.64
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 4237814
N-(furan-2-ylmethyl)-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide
CID 3317247
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3904108
N-(furan-2-ylmethyl)-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 4535974
N-benzyl-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3645959
N-(furan-2-ylmethyl)-2-[3-methoxypropyl(quinolin-8-ylsulfonyl)amino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5223872
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3665303
N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3572091
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methyl-N-propan-2-ylpropanamide
CID 3886469
2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 42772862
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 3358499
4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4030396

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide (CID 3953201) is N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide is CC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
The InChIKey is UIZWYKLATAMSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4S/c1-22(2)19-31(36(33,34)26-14-6-11-24-12-7-16-29-28(24)26)21-27(32)30(20-25-13-8-18-35-25)17-15-23-9-4-3-5-10-23/h3-14,16,18,22H,15,17,19-21H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide?
N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide has a molecular weight of 505.64 g/mol, XLogP of 4.75, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-methylpropyl(quinolin-8-ylsulfonyl)amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3953201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).