N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide

C23H19N3O3S — CID 41097129

IUPACN-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1)c1ccco1
InChIInChI=1S/C23H19N3O3S/c27-21(26-23-25-19(15-30-23)17-10-5-2-6-11-17)18(14-16-8-3-1-4-9-16)24-22(28)20-12-7-13-29-20/h1-13,15,18H,14H2,(H,24,28)(H,25,26,27)/t18-/m0/s1
InChIKeySSQOUHNEKOYRKG-SFHVURJKSA-N
MW417.49 g/mol
LogP4.38
Rot. Bonds7

About N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide

N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide (PubChem CID 41097129) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide
PubChem CID41097129
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC NameN-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1)c1ccco1
InChIInChI=1S/C23H19N3O3S/c27-21(26-23-25-19(15-30-23)17-10-5-2-6-11-17)18(14-16-8-3-1-4-9-16)24-22(28)20-12-7-13-29-20/h1-13,15,18H,14H2,(H,24,28)(H,25,26,27)/t18-/m0/s1
InChIKeySSQOUHNEKOYRKG-SFHVURJKSA-N
XLogP4.38
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 55382385
N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4061506
N-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 3602054
N-[(2S)-1-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 30196947
N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 2207439
N-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 7831360
(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 15336479
N-[(2S)-1-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 31684932
N-[(2S)-4-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzamide
CID 139386620
2-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]amino]acetic acid
CID 124704803
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 5-(furan-2-carbonylamino)-3-methylthiophene-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide (CID 41097129) is N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide is O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1)c1ccco1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide?
The InChIKey is SSQOUHNEKOYRKG-SFHVURJKSA-N. The full InChI is InChI=1S/C23H19N3O3S/c27-21(26-23-25-19(15-30-23)17-10-5-2-6-11-17)18(14-16-8-3-1-4-9-16)24-22(28)20-12-7-13-29-20/h1-13,15,18H,14H2,(H,24,28)(H,25,26,27)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide?
N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-3-phenyl-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 41097129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).