N-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide

C27H29N3O3S — CID 25162038

IUPACN-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29N3O3S/c1-3-30(18-25(32)29-24-16-14-23(15-17-24)28-20(2)31)26(33)19-34-27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,27H,3,18-19H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyIBEACVLVYKYPTN-UHFFFAOYSA-N
MW475.61 g/mol
LogP4.95
Rot. Bonds10

About N-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide

N-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide (PubChem CID 25162038) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide
PubChem CID25162038
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC NameN-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29N3O3S/c1-3-30(18-25(32)29-24-16-14-23(15-17-24)28-20(2)31)26(33)19-34-27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,27H,3,18-19H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyIBEACVLVYKYPTN-UHFFFAOYSA-N
XLogP4.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide 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-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide (CID 25162038) is N-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CSC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide?
The InChIKey is IBEACVLVYKYPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3S/c1-3-30(18-25(32)29-24-16-14-23(15-17-24)28-20(2)31)26(33)19-34-27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,27H,3,18-19H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide?
N-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide has a molecular weight of 475.61 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(2-benzhydrylsulfanylacetyl)-ethylamino]acetamide is sourced from PubChem (CID 25162038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).