N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide

C18H15F2N3O3S — CID 113156712

IUPACN-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1cccc2cccnc12
InChIInChI=1S/C18H15F2N3O3S/c1-27(25,26)23(16-6-2-4-12-5-3-9-21-18(12)16)11-17(24)22-13-7-8-14(19)15(20)10-13/h2-10H,11H2,1H3,(H,22,24)
InChIKeyDFXJVOFSKDNBEM-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.92
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide

N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide (PubChem CID 113156712) has the molecular formula C18H15F2N3O3S and a molecular weight of 391.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
PubChem CID113156712
Molecular FormulaC18H15F2N3O3S
Molecular Weight391.40 g/mol
Exact Mass391.08
IUPAC NameN-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1cccc2cccnc12
InChIInChI=1S/C18H15F2N3O3S/c1-27(25,26)23(16-6-2-4-12-5-3-9-21-18(12)16)11-17(24)22-13-7-8-14(19)15(20)10-13/h2-10H,11H2,1H3,(H,22,24)
InChIKeyDFXJVOFSKDNBEM-UHFFFAOYSA-N
XLogP2.92
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156678
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide
CID 113156685
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113154460
2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113155767
N-(3,4-difluorophenyl)-2-[[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]acetamide
CID 30857477
N-(2-fluorophenyl)-3-[methylsulfonyl(quinolin-8-yl)amino]propanamide
CID 113146292
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-quinolin-8-ylacetamide
CID 113154095
N-[2-[methylsulfonyl(quinolin-8-yl)amino]ethyl]acetamide
CID 113071737
N-(3,4-difluorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 2209494
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
N-(3-chlorophenyl)-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157541
N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287732

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide (CID 113156712) is N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1cccc2cccnc12.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide?
The InChIKey is DFXJVOFSKDNBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S/c1-27(25,26)23(16-6-2-4-12-5-3-9-21-18(12)16)11-17(24)22-13-7-8-14(19)15(20)10-13/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide?
N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide has a molecular weight of 391.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[methylsulfonyl(quinolin-8-yl)amino]acetamide is sourced from PubChem (CID 113156712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).