N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide

C23H24N4O3S2 — CID 58276912

IUPACN-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide
SMILESCC(C)CN(Cc1cncs1)C(=O)[C@H](Cc1cscn1)NC(=O)c1ccc2occc2c1
InChIInChI=1S/C23H24N4O3S2/c1-15(2)10-27(11-19-9-24-13-32-19)23(29)20(8-18-12-31-14-25-18)26-22(28)17-3-4-21-16(7-17)5-6-30-21/h3-7,9,12-15,20H,8,10-11H2,1-2H3,(H,26,28)/t20-/m0/s1
InChIKeySGZAUXJMBVVFCP-FQEVSTJZSA-N
MW468.60 g/mol
LogP4.37
Rot. Bonds9

About N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide

N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide (PubChem CID 58276912) has the molecular formula C23H24N4O3S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide
PubChem CID58276912
Molecular FormulaC23H24N4O3S2
Molecular Weight468.60 g/mol
Exact Mass468.13
IUPAC NameN-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide
SMILESCC(C)CN(Cc1cncs1)C(=O)[C@H](Cc1cscn1)NC(=O)c1ccc2occc2c1
InChIInChI=1S/C23H24N4O3S2/c1-15(2)10-27(11-19-9-24-13-32-19)23(29)20(8-18-12-31-14-25-18)26-22(28)17-3-4-21-16(7-17)5-6-30-21/h3-7,9,12-15,20H,8,10-11H2,1-2H3,(H,26,28)/t20-/m0/s1
InChIKeySGZAUXJMBVVFCP-FQEVSTJZSA-N
XLogP4.37
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide 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 N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide (CID 58276912) is N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide is CC(C)CN(Cc1cncs1)C(=O)[C@H](Cc1cscn1)NC(=O)c1ccc2occc2c1.
What is the InChIKey of N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide?
The InChIKey is SGZAUXJMBVVFCP-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N4O3S2/c1-15(2)10-27(11-19-9-24-13-32-19)23(29)20(8-18-12-31-14-25-18)26-22(28)17-3-4-21-16(7-17)5-6-30-21/h3-7,9,12-15,20H,8,10-11H2,1-2H3,(H,26,28)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide?
N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-methylpropyl(1,3-thiazol-5-ylmethyl)amino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 58276912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).