N-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

C18H17ClF3N3O4S — CID 1302971

IUPACN-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H17ClF3N3O4S/c1-11(26)23-12-3-5-13(6-4-12)24-17(27)10-25(30(2,28)29)14-7-8-16(19)15(9-14)18(20,21)22/h3-9H,10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyCMANBYVLUGZYPO-UHFFFAOYSA-N
MW463.87 g/mol
LogP3.72
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide

N-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 1302971) has the molecular formula C18H17ClF3N3O4S and a molecular weight of 463.87 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID1302971
Molecular FormulaC18H17ClF3N3O4S
Molecular Weight463.87 g/mol
Exact Mass463.06
IUPAC NameN-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H17ClF3N3O4S/c1-11(26)23-12-3-5-13(6-4-12)24-17(27)10-25(30(2,28)29)14-7-8-16(19)15(9-14)18(20,21)22/h3-9H,10H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyCMANBYVLUGZYPO-UHFFFAOYSA-N
XLogP3.72
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.87
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide (CID 1302971) is N-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is CC(=O)Nc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is CMANBYVLUGZYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O4S/c1-11(26)23-12-3-5-13(6-4-12)24-17(27)10-25(30(2,28)29)14-7-8-16(19)15(9-14)18(20,21)22/h3-9H,10H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide?
N-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 463.87 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 1302971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).