N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

C26H34F3N3O6S — CID 5211176

IUPACN-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CCCN1CCOCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C26H34F3N3O6S/c27-26(28,29)21-5-1-8-24(17-21)39(34,35)32(10-4-9-30-11-15-36-16-12-30)20-25(33)31(18-22-6-2-13-37-22)19-23-7-3-14-38-23/h1-2,5-6,8,13,17,23H,3-4,7,9-12,14-16,18-20H2
InChIKeyYJYDDFRHYZUSSN-UHFFFAOYSA-N
MW573.63 g/mol
LogP3.22
Rot. Bonds12

About N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide

N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 5211176) has the molecular formula C26H34F3N3O6S and a molecular weight of 573.63 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID5211176
Molecular FormulaC26H34F3N3O6S
Molecular Weight573.63 g/mol
Exact Mass573.21
IUPAC NameN-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CN(CCCN1CCOCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1)N(Cc1ccco1)CC1CCCO1
InChIInChI=1S/C26H34F3N3O6S/c27-26(28,29)21-5-1-8-24(17-21)39(34,35)32(10-4-9-30-11-15-36-16-12-30)20-25(33)31(18-22-6-2-13-37-22)19-23-7-3-14-38-23/h1-2,5-6,8,13,17,23H,3-4,7,9-12,14-16,18-20H2
InChIKeyYJYDDFRHYZUSSN-UHFFFAOYSA-N
XLogP3.22
TPSA92.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.63
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 5031935
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)adamantane-1-carboxamide
CID 3949577
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4040954
N-(furan-2-ylmethyl)-2-[3-methoxypropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 5041422
1-(furan-2-ylmethyl)-3-(2-morpholin-4-ylethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94594071
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)sulfonyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4174409
N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93110315
N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)morpholine-4-carboxamide
CID 665462
N-[(4-fluorophenyl)methyl]-2-[2-morpholin-4-ylethyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 1031865
2-[(4-tert-butylphenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4648948
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(4-nitrophenyl)sulfonylamino]acetamide
CID 4585823
N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154886122

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide (CID 5211176) is N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is O=C(CN(CCCN1CCOCC1)S(=O)(=O)c1cccc(C(F)(F)F)c1)N(Cc1ccco1)CC1CCCO1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is YJYDDFRHYZUSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N3O6S/c27-26(28,29)21-5-1-8-24(17-21)39(34,35)32(10-4-9-30-11-15-36-16-12-30)20-25(33)31(18-22-6-2-13-37-22)19-23-7-3-14-38-23/h1-2,5-6,8,13,17,23H,3-4,7,9-12,14-16,18-20H2.
What are the key properties of N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide?
N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 573.63 g/mol, XLogP of 3.22, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 5211176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).