N-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide

C20H22N2O3S — CID 1015803

IUPACN-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3C(C)=CC2(C)C)cc1
InChIInChI=1S/C20H22N2O3S/c1-14-13-20(3,4)22(19-8-6-5-7-18(14)19)26(24,25)17-11-9-16(10-12-17)21-15(2)23/h5-13H,1-4H3,(H,21,23)
InChIKeyDCOYHHRXMPVNCL-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.04
Rot. Bonds3

About N-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide

N-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide (PubChem CID 1015803) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide
PubChem CID1015803
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3C(C)=CC2(C)C)cc1
InChIInChI=1S/C20H22N2O3S/c1-14-13-20(3,4)22(19-8-6-5-7-18(14)19)26(24,25)17-11-9-16(10-12-17)21-15(2)23/h5-13H,1-4H3,(H,21,23)
InChIKeyDCOYHHRXMPVNCL-UHFFFAOYSA-N
XLogP4.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide (CID 1015803) is N-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3C(C)=CC2(C)C)cc1.
What is the InChIKey of N-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is DCOYHHRXMPVNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14-13-20(3,4)22(19-8-6-5-7-18(14)19)26(24,25)17-11-9-16(10-12-17)21-15(2)23/h5-13H,1-4H3,(H,21,23).
What are the key properties of N-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide?
N-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 370.47 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,4-trimethylquinolin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 1015803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).