N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide

C25H24ClNO3S — CID 35141310

IUPACN-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide
SMILESO=C(C(c1ccccc1)c1ccccc1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C25H24ClNO3S/c26-22-13-7-8-19(16-22)17-27(23-14-15-31(29,30)18-23)25(28)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,16,23-24H,14-15,17-18H2/t23-/m0/s1
InChIKeyGOMZTIDQOBGHLM-QHCPKHFHSA-N
MW453.99 g/mol
LogP4.69
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide

N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide (PubChem CID 35141310) has the molecular formula C25H24ClNO3S and a molecular weight of 453.99 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide
PubChem CID35141310
Molecular FormulaC25H24ClNO3S
Molecular Weight453.99 g/mol
Exact Mass453.12
IUPAC NameN-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide
SMILESO=C(C(c1ccccc1)c1ccccc1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C25H24ClNO3S/c26-22-13-7-8-19(16-22)17-27(23-14-15-31(29,30)18-23)25(28)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,16,23-24H,14-15,17-18H2/t23-/m0/s1
InChIKeyGOMZTIDQOBGHLM-QHCPKHFHSA-N
XLogP4.69
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.99
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(3-chlorophenyl)methyl-[(3S)-1,1-dioxothiolan-3-yl]amino]acetic acid
CID 129365619
3-chloro-N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-1-benzothiophene-2-carboxamide
CID 3678478
N-[(5-bromofuran-2-yl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide
CID 42278660
N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-methoxybenzamide
CID 3834147
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 40643549
N-benzyl-2-(2-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 3813701
N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 3753374
3-chloro-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3708910
N-benzyl-2-(4-chloro-3-methylphenoxy)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 3508675
N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-6-methyl-4-oxochromene-2-carboxamide
CID 26818842
3,4-dichloro-N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-1-benzothiophene-2-carboxamide
CID 41077113
trans-(1R,3S)-N-[(3-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 35043494

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide (CID 35141310) is N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide is O=C(C(c1ccccc1)c1ccccc1)N(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide?
The InChIKey is GOMZTIDQOBGHLM-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H24ClNO3S/c26-22-13-7-8-19(16-22)17-27(23-14-15-31(29,30)18-23)25(28)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-13,16,23-24H,14-15,17-18H2/t23-/m0/s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide?
N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide has a molecular weight of 453.99 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 35141310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).