2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide

C18H21ClN2O5S — CID 100514614

IUPAC2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O5S/c1-25-14-8-9-17(26-2)16(10-14)20-18(22)12-21(27(3,23)24)11-13-6-4-5-7-15(13)19/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyZOWWJLDPWDJDKE-UHFFFAOYSA-N
MW412.90 g/mol
LogP2.76
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide

2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 100514614) has the molecular formula C18H21ClN2O5S and a molecular weight of 412.90 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID100514614
Molecular FormulaC18H21ClN2O5S
Molecular Weight412.90 g/mol
Exact Mass412.09
IUPAC Name2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C18H21ClN2O5S/c1-25-14-8-9-17(26-2)16(10-14)20-18(22)12-21(27(3,23)24)11-13-6-4-5-7-15(13)19/h4-10H,11-12H2,1-3H3,(H,20,22)
InChIKeyZOWWJLDPWDJDKE-UHFFFAOYSA-N
XLogP2.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26055291
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151206
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 100709949
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998403
3-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 113139457
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2,5-dimethoxyphenyl)acetamide
CID 998394
N-(4-chlorophenyl)-2-[(2-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151204
methyl 3-[[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-4-methoxybenzoate
CID 100755398
2-[(2-methoxyphenyl)methyl-methylsulfonylamino]-N-phenylacetamide
CID 113151180
N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152317
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 126063511
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 1362081

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide (CID 100514614) is 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN(Cc2ccccc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is ZOWWJLDPWDJDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S/c1-25-14-8-9-17(26-2)16(10-14)20-18(22)12-21(27(3,23)24)11-13-6-4-5-7-15(13)19/h4-10H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide?
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 412.90 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 100514614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).