N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide

C21H18Cl2N2O5S — CID 27555075

IUPACN-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl2N2O5S/c22-15-5-3-14(4-6-15)12-24-20(26)21(27)25-13-19(18-2-1-11-30-18)31(28,29)17-9-7-16(23)8-10-17/h1-11,19H,12-13H2,(H,24,26)(H,25,27)/t19-/m0/s1
InChIKeyGQMCATWEYUZGGX-IBGZPJMESA-N
MW481.36 g/mol
LogP3.53
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide

N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide (PubChem CID 27555075) has the molecular formula C21H18Cl2N2O5S and a molecular weight of 481.36 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
PubChem CID27555075
Molecular FormulaC21H18Cl2N2O5S
Molecular Weight481.36 g/mol
Exact Mass480.03
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl2N2O5S/c22-15-5-3-14(4-6-15)12-24-20(26)21(27)25-13-19(18-2-1-11-30-18)31(28,29)17-9-7-16(23)8-10-17/h1-11,19H,12-13H2,(H,24,26)(H,25,27)/t19-/m0/s1
InChIKeyGQMCATWEYUZGGX-IBGZPJMESA-N
XLogP3.53
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.36
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide 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

N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]oxamide
CID 40774894
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555078
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide
CID 27555084
N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[(3-methoxyphenyl)methyl]oxamide
CID 27444856
N'-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 18574088
N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 27451022
4-chloro-N-[2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]benzamide
CID 22584561
N'-[(2R)-2-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-(pyridin-4-ylmethyl)oxamide
CID 27555108
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-N'-cycloheptyloxamide
CID 27555026
N-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 7268165
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774967
N-[(2-chlorophenyl)methyl]-N'-[2-(furan-2-yl)-2-(4-methylphenyl)sulfonylethyl]oxamide
CID 22584517

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide (CID 27555075) is N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide is O=C(NCc1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide?
The InChIKey is GQMCATWEYUZGGX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H18Cl2N2O5S/c22-15-5-3-14(4-6-15)12-24-20(26)21(27)25-13-19(18-2-1-11-30-18)31(28,29)17-9-7-16(23)8-10-17/h1-11,19H,12-13H2,(H,24,26)(H,25,27)/t19-/m0/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide?
N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide has a molecular weight of 481.36 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-[(2S)-2-(4-chlorophenyl)sulfonyl-2-(furan-2-yl)ethyl]oxamide is sourced from PubChem (CID 27555075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).