N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide

C17H18Cl2N2O4S — CID 126396765

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C17H18Cl2N2O4S/c1-25-16-8-7-14(9-15(16)19)20-17(22)11-21(26(2,23)24)10-12-3-5-13(18)6-4-12/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyQFNDHUUNBPMAFQ-UHFFFAOYSA-N
MW417.31 g/mol
LogP3.40
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide (PubChem CID 126396765) has the molecular formula C17H18Cl2N2O4S and a molecular weight of 417.31 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
PubChem CID126396765
Molecular FormulaC17H18Cl2N2O4S
Molecular Weight417.31 g/mol
Exact Mass416.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C17H18Cl2N2O4S/c1-25-16-8-7-14(9-15(16)19)20-17(22)11-21(26(2,23)24)10-12-3-5-13(18)6-4-12/h3-9H,10-11H2,1-2H3,(H,20,22)
InChIKeyQFNDHUUNBPMAFQ-UHFFFAOYSA-N
XLogP3.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 3372862
N-(3,4-dimethoxyphenyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide
CID 113151798
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-iodophenyl)acetamide
CID 2301952
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 4543333
N-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151312
N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129893
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-chlorophenyl)acetamide
CID 1102424
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151204
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126065599
N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135971
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28547319
2-[butan-2-yl(methylsulfonyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113148752

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide (CID 126396765) is N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide is COc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide?
The InChIKey is QFNDHUUNBPMAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S/c1-25-16-8-7-14(9-15(16)19)20-17(22)11-21(26(2,23)24)10-12-3-5-13(18)6-4-12/h3-9H,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide has a molecular weight of 417.31 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 126396765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).