[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate

C25H25N3O6S — CID 26384443

IUPAC[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate
SMILESC[C@@H](OC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C25H25N3O6S/c1-17(24(30)27-20-12-14-21(15-13-20)35(26,32)33)34-23(29)16-22(18-8-4-2-5-9-18)28-25(31)19-10-6-3-7-11-19/h2-15,17,22H,16H2,1H3,(H,27,30)(H,28,31)(H2,26,32,33)/t17-,22+/m1/s1
InChIKeyRGMIEGUJKWVDGY-VGSWGCGISA-N
MW495.56 g/mol
LogP2.77
Rot. Bonds9

About [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate

[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate (PubChem CID 26384443) has the molecular formula C25H25N3O6S and a molecular weight of 495.56 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate
PubChem CID26384443
Molecular FormulaC25H25N3O6S
Molecular Weight495.56 g/mol
Exact Mass495.15
IUPAC Name[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate
SMILESC[C@@H](OC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C25H25N3O6S/c1-17(24(30)27-20-12-14-21(15-13-20)35(26,32)33)34-23(29)16-22(18-8-4-2-5-9-18)28-25(31)19-10-6-3-7-11-19/h2-15,17,22H,16H2,1H3,(H,27,30)(H,28,31)(H2,26,32,33)/t17-,22+/m1/s1
InChIKeyRGMIEGUJKWVDGY-VGSWGCGISA-N
XLogP2.77
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-phenylbutanoate
CID 16504393
[(2S)-1-[4-(2-methylpropanoylamino)phenyl]-1-oxopropan-2-yl] (3S)-3-benzamido-3-phenylpropanoate
CID 39803836
propan-2-yl 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-3-phenylpropanoate
CID 46686826
[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (3R)-3-benzamido-3-phenylpropanoate
CID 8734827
N-[(2S,3S)-3-methyl-1-oxo-1-(4-sulfamoylanilino)pentan-2-yl]benzamide
CID 9034859
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate
CID 42970369
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132754
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132755
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 8939651
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (3R)-3-benzamido-3-phenylpropanoate
CID 7214921
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate
CID 7833590
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pentanoate
CID 7790407

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate?
The IUPAC name of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate (CID 26384443) is [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate.
What is the SMILES notation for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate?
The canonical SMILES for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate is C[C@@H](OC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate?
The InChIKey is RGMIEGUJKWVDGY-VGSWGCGISA-N. The full InChI is InChI=1S/C25H25N3O6S/c1-17(24(30)27-20-12-14-21(15-13-20)35(26,32)33)34-23(29)16-22(18-8-4-2-5-9-18)28-25(31)19-10-6-3-7-11-19/h2-15,17,22H,16H2,1H3,(H,27,30)(H,28,31)(H2,26,32,33)/t17-,22+/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate?
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate has a molecular weight of 495.56 g/mol, XLogP of 2.77, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (3S)-3-benzamido-3-phenylpropanoate is sourced from PubChem (CID 26384443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).