N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide

C20H23ClF3N3O2S — CID 146381089

IUPACN'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(Cc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C20H23ClF3N3O2S/c1-5-26(3)13-25-18-10-14(2)19(11-17(18)21)27(30(4,28)29)12-15-6-8-16(9-7-15)20(22,23)24/h6-11,13H,5,12H2,1-4H3/b25-13+
InChIKeyZFFMQLIJGAYEQE-DHRITJCHSA-N
MW461.94 g/mol
LogP5.24
Rot. Bonds7

About N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 146381089) has the molecular formula C20H23ClF3N3O2S and a molecular weight of 461.94 g/mol. Its IUPAC name is N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID146381089
Molecular FormulaC20H23ClF3N3O2S
Molecular Weight461.94 g/mol
Exact Mass461.12
IUPAC NameN'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(Cc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C20H23ClF3N3O2S/c1-5-26(3)13-25-18-10-14(2)19(11-17(18)21)27(30(4,28)29)12-15-6-8-16(9-7-15)20(22,23)24/h6-11,13H,5,12H2,1-4H3/b25-13+
InChIKeyZFFMQLIJGAYEQE-DHRITJCHSA-N
XLogP5.24
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.94
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-chloro-5-methyl-4-[N-methyl-3,5-bis(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 142322821
N'-[5-chloro-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 154647900
N-[5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methylphenyl]-N-[(2,5-dimethylphenyl)methyl]formamide
CID 146381003
N'-[2-chloro-4-(2-fluoro-5-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197712
N'-[2,5-dimethyl-4-[N-methyl-2-(trifluoromethyl)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197787
N'-[2-chloro-4-[2-[N-(cyclopropylmethyl)-S-(trifluoromethyl)sulfonimidoyl]phenoxy]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146546094
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]benzamide
CID 100726819
4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide
CID 163372679
N'-[2,5-dimethyl-4-[5-(trifluoromethyl)indole-1-carbonyl]phenyl]-N-ethyl-N-methylmethanimidamide
CID 163372536
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1317339
N'-[2-chloro-4-[2-(4-chlorophenoxy)acetyl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362957
4-[2,5-dichloro-4-[[ethyl(methyl)amino]methylideneamino]anilino]-3-methylbenzoic acid
CID 146197888

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide (CID 146381089) is N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(N(Cc2ccc(C(F)(F)F)cc2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is ZFFMQLIJGAYEQE-DHRITJCHSA-N. The full InChI is InChI=1S/C20H23ClF3N3O2S/c1-5-26(3)13-25-18-10-14(2)19(11-17(18)21)27(30(4,28)29)12-15-6-8-16(9-7-15)20(22,23)24/h6-11,13H,5,12H2,1-4H3/b25-13+.
What are the key properties of N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 461.94 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-5-methyl-4-[methylsulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 146381089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).