2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide

C18H21ClN2O4S — CID 94079433

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-13(2)25-16-8-6-15(7-9-16)20-18(22)12-21(3)26(23,24)17-10-4-14(19)5-11-17/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeySZBMYKHJOWNSHJ-UHFFFAOYSA-N
MW396.90 g/mol
LogP3.39
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 94079433) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID94079433
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H21ClN2O4S/c1-13(2)25-16-8-6-15(7-9-16)20-18(22)12-21(3)26(23,24)17-10-4-14(19)5-11-17/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeySZBMYKHJOWNSHJ-UHFFFAOYSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2709966
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2709729
N-(4-chlorophenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100530866
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 24653479
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 27364864
N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316906
2-(N-acetyl-4-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 113171603
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(phenylcarbamoylamino)phenyl]acetamide
CID 46508678
N-[4-(1-adamantyl)phenyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 100704773
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 100792364
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100792366

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide (CID 94079433) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is SZBMYKHJOWNSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13(2)25-16-8-6-15(7-9-16)20-18(22)12-21(3)26(23,24)17-10-4-14(19)5-11-17/h4-11,13H,12H2,1-3H3,(H,20,22).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 396.90 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 94079433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).