N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide

C22H23N3O2S — CID 139386748

IUPACN-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide
SMILESCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H23N3O2S/c1-2-3-14-18(23-20(26)17-12-8-5-9-13-17)21(27)25-22-24-19(15-28-22)16-10-6-4-7-11-16/h4-13,15,18H,2-3,14H2,1H3,(H,23,26)(H,24,25,27)/t18-/m0/s1
InChIKeyAAUORUCFUSRPNV-SFHVURJKSA-N
MW393.51 g/mol
LogP4.74
Rot. Bonds8

About N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide

N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide (PubChem CID 139386748) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide
PubChem CID139386748
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide
SMILESCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C22H23N3O2S/c1-2-3-14-18(23-20(26)17-12-8-5-9-13-17)21(27)25-22-24-19(15-28-22)16-10-6-4-7-11-16/h4-13,15,18H,2-3,14H2,1H3,(H,23,26)(H,24,25,27)/t18-/m0/s1
InChIKeyAAUORUCFUSRPNV-SFHVURJKSA-N
XLogP4.74
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide?
The IUPAC name of N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide (CID 139386748) is N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide is CCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide?
The InChIKey is AAUORUCFUSRPNV-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-2-3-14-18(23-20(26)17-12-8-5-9-13-17)21(27)25-22-24-19(15-28-22)16-10-6-4-7-11-16/h4-13,15,18H,2-3,14H2,1H3,(H,23,26)(H,24,25,27)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide?
N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide has a molecular weight of 393.51 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]hexan-2-yl]benzamide is sourced from PubChem (CID 139386748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).