N'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide

C20H27N3O2S — CID 146197707

IUPACN'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C)c2ccc(C)cc2)cc1S(C)(=O)=O
InChIInChI=1S/C20H27N3O2S/c1-7-22(4)14-21-18-12-16(3)19(13-20(18)26(6,24)25)23(5)17-10-8-15(2)9-11-17/h8-14H,7H2,1-6H3/b21-14+
InChIKeyXNKOHUBBBCHBPJ-KGENOOAVSA-N
MW373.52 g/mol
LogP4.09
Rot. Bonds6

About N'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 146197707) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID146197707
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C)c2ccc(C)cc2)cc1S(C)(=O)=O
InChIInChI=1S/C20H27N3O2S/c1-7-22(4)14-21-18-12-16(3)19(13-20(18)26(6,24)25)23(5)17-10-8-15(2)9-11-17/h8-14H,7H2,1-6H3/b21-14+
InChIKeyXNKOHUBBBCHBPJ-KGENOOAVSA-N
XLogP4.09
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide (CID 146197707) is N'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(N(C)c2ccc(C)cc2)cc1S(C)(=O)=O.
What is the InChIKey of N'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is XNKOHUBBBCHBPJ-KGENOOAVSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-7-22(4)14-21-18-12-16(3)19(13-20(18)26(6,24)25)23(5)17-10-8-15(2)9-11-17/h8-14H,7H2,1-6H3/b21-14+.
What are the key properties of N'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 373.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(N,4-dimethylanilino)-5-methyl-2-methylsulfonylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 146197707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).