N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C18H21ClN2O4S — CID 1314189

IUPACN-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl
InChIInChI=1S/C18H21ClN2O4S/c1-11-7-12(2)18(13(3)8-11)26(23,24)20-10-17(22)21-14-5-6-16(25-4)15(19)9-14/h5-9,20H,10H2,1-4H3,(H,21,22)
InChIKeyDKSSDCULEYGGEI-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.19
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 1314189) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID1314189
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl
InChIInChI=1S/C18H21ClN2O4S/c1-11-7-12(2)18(13(3)8-11)26(23,24)20-10-17(22)21-14-5-6-16(25-4)15(19)9-14/h5-9,20H,10H2,1-4H3,(H,21,22)
InChIKeyDKSSDCULEYGGEI-UHFFFAOYSA-N
XLogP3.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26822921
N-(3-chloro-4-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112998200
N-(3-chloro-4-methoxyphenyl)-2-[(2-chlorophenyl)sulfonylamino]acetamide
CID 112998391
N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide
CID 112998367
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998755
N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 772299
2-(3-chloro-4-methoxyanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9101828
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373194
2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 112996215
N-(3-chloro-4-methoxyphenyl)-2-(2,6-dimethoxy-4-methylphenoxy)acetamide
CID 7695455
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 1314189) is N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is COc1ccc(NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is DKSSDCULEYGGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-11-7-12(2)18(13(3)8-11)26(23,24)20-10-17(22)21-14-5-6-16(25-4)15(19)9-14/h5-9,20H,10H2,1-4H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 396.90 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 1314189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).