2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide

C29H27N3O6S2 — CID 70168277

IUPAC2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide
SMILESNC(=O)c1cccc([C@H](Cc2ccccc2)C(=O)CNS(=O)(=O)c2ccccc2)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C29H27N3O6S2/c30-29(34)25-18-10-17-24(28(25)32-40(37,38)23-15-8-3-9-16-23)26(19-21-11-4-1-5-12-21)27(33)20-31-39(35,36)22-13-6-2-7-14-22/h1-18,26,31-32H,19-20H2,(H2,30,34)/t26-/m0/s1
InChIKeyANBJTOGUCVALCG-SANMLTNESA-N
MW577.68 g/mol
LogP3.46
Rot. Bonds12

About 2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide

2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide (PubChem CID 70168277) has the molecular formula C29H27N3O6S2 and a molecular weight of 577.68 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide
PubChem CID70168277
Molecular FormulaC29H27N3O6S2
Molecular Weight577.68 g/mol
Exact Mass577.13
IUPAC Name2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide
SMILESNC(=O)c1cccc([C@H](Cc2ccccc2)C(=O)CNS(=O)(=O)c2ccccc2)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C29H27N3O6S2/c30-29(34)25-18-10-17-24(28(25)32-40(37,38)23-15-8-3-9-16-23)26(19-21-11-4-1-5-12-21)27(33)20-31-39(35,36)22-13-6-2-7-14-22/h1-18,26,31-32H,19-20H2,(H2,30,34)/t26-/m0/s1
InChIKeyANBJTOGUCVALCG-SANMLTNESA-N
XLogP3.46
TPSA152.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.68
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide?
The IUPAC name of 2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide (CID 70168277) is 2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide?
The canonical SMILES for 2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide is NC(=O)c1cccc([C@H](Cc2ccccc2)C(=O)CNS(=O)(=O)c2ccccc2)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide?
The InChIKey is ANBJTOGUCVALCG-SANMLTNESA-N. The full InChI is InChI=1S/C29H27N3O6S2/c30-29(34)25-18-10-17-24(28(25)32-40(37,38)23-15-8-3-9-16-23)26(19-21-11-4-1-5-12-21)27(33)20-31-39(35,36)22-13-6-2-7-14-22/h1-18,26,31-32H,19-20H2,(H2,30,34)/t26-/m0/s1.
What are the key properties of 2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide?
2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide has a molecular weight of 577.68 g/mol, XLogP of 3.46, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-3-[(2S)-4-(benzenesulfonamido)-3-oxo-1-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 70168277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).