(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide

C19H26N6O5S — CID 70056953

IUPAC(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide
SMILESC[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)n1ccnc1
InChIInChI=1S/C19H26N6O5S/c1-15(18(20)26)25(23-8-7-21-14-23)19(27)17(13-16-5-3-2-4-6-16)22-31(28,29)24-9-11-30-12-10-24/h2-8,14-15,17,22H,9-13H2,1H3,(H2,20,26)/t15-,17-/m0/s1
InChIKeyAAKSDXRPCSKHGR-RDJZCZTQSA-N
MW450.52 g/mol
LogP-1.00
Rot. Bonds9

About (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide

(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide (PubChem CID 70056953) has the molecular formula C19H26N6O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide
PubChem CID70056953
Molecular FormulaC19H26N6O5S
Molecular Weight450.52 g/mol
Exact Mass450.17
IUPAC Name(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide
SMILESC[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)n1ccnc1
InChIInChI=1S/C19H26N6O5S/c1-15(18(20)26)25(23-8-7-21-14-23)19(27)17(13-16-5-3-2-4-6-16)22-31(28,29)24-9-11-30-12-10-24/h2-8,14-15,17,22H,9-13H2,1H3,(H2,20,26)/t15-,17-/m0/s1
InChIKeyAAKSDXRPCSKHGR-RDJZCZTQSA-N
XLogP-1.00
TPSA139.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide?
The IUPAC name of (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide (CID 70056953) is (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide?
The canonical SMILES for (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide is C[C@@H](C(N)=O)N(C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)n1ccnc1.
What is the InChIKey of (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide?
The InChIKey is AAKSDXRPCSKHGR-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H26N6O5S/c1-15(18(20)26)25(23-8-7-21-14-23)19(27)17(13-16-5-3-2-4-6-16)22-31(28,29)24-9-11-30-12-10-24/h2-8,14-15,17,22H,9-13H2,1H3,(H2,20,26)/t15-,17-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide?
(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide has a molecular weight of 450.52 g/mol, XLogP of -1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-imidazol-1-yl-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide is sourced from PubChem (CID 70056953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).