N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide

C17H18Cl2N2O4S — CID 24643135

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NC(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O4S/c1-11(15-8-3-12(18)9-16(15)19)21-17(22)10-20-26(23,24)14-6-4-13(25-2)5-7-14/h3-9,11,20H,10H2,1-2H3,(H,21,22)
InChIKeyGMVHQZYBXOMXDV-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.16
Rot. Bonds7

About N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide (PubChem CID 24643135) has the molecular formula C17H18Cl2N2O4S and a molecular weight of 417.31 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
PubChem CID24643135
Molecular FormulaC17H18Cl2N2O4S
Molecular Weight417.31 g/mol
Exact Mass416.04
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)NC(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O4S/c1-11(15-8-3-12(18)9-16(15)19)21-17(22)10-20-26(23,24)14-6-4-13(25-2)5-7-14/h3-9,11,20H,10H2,1-2H3,(H,21,22)
InChIKeyGMVHQZYBXOMXDV-UHFFFAOYSA-N
XLogP3.16
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40720374
N-[2-[2-(2,5-dichlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 18158719
2-(4-chlorophenyl)sulfonyl-N-[1-(2,4-dichlorophenyl)ethyl]acetamide
CID 24559842
(2R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 7865722
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-fluorophenyl)sulfonylacetamide
CID 86992770
N-[1-(2,4-dichlorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55455394
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 51968542
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262776
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 2565835
[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-[4-(methylsulfamoyl)phenyl]propanoate
CID 55367144
N-[1-(2,4-dichlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119683876
N-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112998738

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide (CID 24643135) is N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)NC(C)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
The InChIKey is GMVHQZYBXOMXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S/c1-11(15-8-3-12(18)9-16(15)19)21-17(22)10-20-26(23,24)14-6-4-13(25-2)5-7-14/h3-9,11,20H,10H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide has a molecular weight of 417.31 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 24643135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).