N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

C24H25N3O6S — CID 40863917

IUPACN-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccco1
InChIInChI=1S/C24H25N3O6S/c28-23(21(16-18-6-2-1-3-7-18)26-24(29)22-10-5-13-33-22)25-19-8-4-9-20(17-19)34(30,31)27-11-14-32-15-12-27/h1-10,13,17,21H,11-12,14-16H2,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyHTCWQLNTHVTKFY-NRFANRHFSA-N
MW483.55 g/mol
LogP2.28
Rot. Bonds8

About N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (PubChem CID 40863917) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
PubChem CID40863917
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC NameN-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccco1
InChIInChI=1S/C24H25N3O6S/c28-23(21(16-18-6-2-1-3-7-18)26-24(29)22-10-5-13-33-22)25-19-8-4-9-20(17-19)34(30,31)27-11-14-32-15-12-27/h1-10,13,17,21H,11-12,14-16H2,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyHTCWQLNTHVTKFY-NRFANRHFSA-N
XLogP2.28
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-oxo-3-phenyl-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 112762822
N-[3-methyl-1-(3-morpholin-4-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 4852294
(2S)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylpentanamide
CID 7758976
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 119262356
N-[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41037360
N-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 40939082
N-[1-(3-chloro-4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46508069
N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2207439
2-amino-N-(3-morpholin-4-ylsulfonylphenyl)pentanamide
CID 119262364
1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)thiourea
CID 19680416
(2S)-2-(2-morpholin-4-ylethylamino)-N-(3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 30729039
N-[(2R)-1-(3-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 40786677

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide (CID 40863917) is N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccco1.
What is the InChIKey of N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
The InChIKey is HTCWQLNTHVTKFY-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25N3O6S/c28-23(21(16-18-6-2-1-3-7-18)26-24(29)22-10-5-13-33-22)25-19-8-4-9-20(17-19)34(30,31)27-11-14-32-15-12-27/h1-10,13,17,21H,11-12,14-16H2,(H,25,28)(H,26,29)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 40863917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).