N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C26H31N3O5S — CID 41083383

IUPACN-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1
InChIInChI=1S/C26H31N3O5S/c1-4-29(5-2)35(32,33)22-15-13-21(14-16-22)19(3)27-25(30)23(18-20-10-7-6-8-11-20)28-26(31)24-12-9-17-34-24/h6-17,19,23H,4-5,18H2,1-3H3,(H,27,30)(H,28,31)/t19-,23-/m1/s1
InChIKeyAQKXUYJBONRWEH-AUSIDOKSSA-N
MW497.62 g/mol
LogP3.53
Rot. Bonds11

About N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 41083383) has the molecular formula C26H31N3O5S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID41083383
Molecular FormulaC26H31N3O5S
Molecular Weight497.62 g/mol
Exact Mass497.20
IUPAC NameN-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1
InChIInChI=1S/C26H31N3O5S/c1-4-29(5-2)35(32,33)22-15-13-21(14-16-22)19(3)27-25(30)23(18-20-10-7-6-8-11-20)28-26(31)24-12-9-17-34-24/h6-17,19,23H,4-5,18H2,1-3H3,(H,27,30)(H,28,31)/t19-,23-/m1/s1
InChIKeyAQKXUYJBONRWEH-AUSIDOKSSA-N
XLogP3.53
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-oxo-3-phenyl-1-(1-pyridin-4-ylethylamino)propan-2-yl]furan-2-carboxamide
CID 78775920
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide
CID 55339007
3-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119220848
2-[[2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]butanoic acid
CID 119223465
N-[1-(5-methylhexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 78768077
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
N-[(2R)-1-[2-(2-methylpropanoylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31011970
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 51937998
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 41083383) is N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is AQKXUYJBONRWEH-AUSIDOKSSA-N. The full InChI is InChI=1S/C26H31N3O5S/c1-4-29(5-2)35(32,33)22-15-13-21(14-16-22)19(3)27-25(30)23(18-20-10-7-6-8-11-20)28-26(31)24-12-9-17-34-24/h6-17,19,23H,4-5,18H2,1-3H3,(H,27,30)(H,28,31)/t19-,23-/m1/s1.
What are the key properties of N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 3.53, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 41083383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).