4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane

C25H37N3O3S — CID 142102070

IUPAC4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane
SMILESCCCN(CC)c1ccc(N(C)CC#CCCS(=O)(=O)c2ccccn2)c(C)c1.COC
InChIInChI=1S/C23H31N3O2S.C2H6O/c1-5-16-26(6-2)21-13-14-22(20(3)19-21)25(4)17-10-7-11-18-29(27,28)23-12-8-9-15-24-23;1-3-2/h8-9,12-15,19H,5-6,11,16-18H2,1-4H3;1-2H3
InChIKeyRXJIFAWCSBTKEQ-UHFFFAOYSA-N
MW459.66 g/mol
LogP4.19
Rot. Bonds9

About 4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane

4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane (PubChem CID 142102070) has the molecular formula C25H37N3O3S and a molecular weight of 459.66 g/mol. Its IUPAC name is 4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane.

Molecular Properties

Compound Name4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane
PubChem CID142102070
Molecular FormulaC25H37N3O3S
Molecular Weight459.66 g/mol
Exact Mass459.26
IUPAC Name4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane
SMILESCCCN(CC)c1ccc(N(C)CC#CCCS(=O)(=O)c2ccccn2)c(C)c1.COC
InChIInChI=1S/C23H31N3O2S.C2H6O/c1-5-16-26(6-2)21-13-14-22(20(3)19-21)25(4)17-10-7-11-18-29(27,28)23-12-8-9-15-24-23;1-3-2/h8-9,12-15,19H,5-6,11,16-18H2,1-4H3;1-2H3
InChIKeyRXJIFAWCSBTKEQ-UHFFFAOYSA-N
XLogP4.19
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.66
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-methylphenyl]-N-(methylideneamino)carbamate
CID 142102040
N-[4-(diethylamino)-2-methylphenyl]-N-methyl-5-pyrimidin-2-ylsulfonylpent-2-ynamide
CID 142101977
2-propylsulfonylpyridine tetrafluoroborate
CID 175603723
2-pyridin-2-ylsulfonylethyl N-[4-(diethylamino)-2-(2-methylsulfonylethyl)phenyl]carbamate
CID 22964731
2-[2-[2-(2-methylphenyl)propan-2-yloxy]ethylsulfonyl]pyridine
CID 70906130
N-methyl-N-(4-methylphenyl)pyridine-2-sulfonamide
CID 71774254
tributylstannyl pyridine-2-sulfonate
CID 163304135
N-methyl-2-pyridin-2-ylsulfonylethanamine
CID 71130386
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
2-[(5-methylsulfonyl-2-pyridinyl)sulfonyl]ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22964746
3-[(dimethylamino)methyl]-N-ethyl-4-methyl-N-propylaniline
CID 143655102
4-(chloromethyl)-N-ethyl-3-methyl-N-propylaniline
CID 62129296

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane?
The IUPAC name of 4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane (CID 142102070) is 4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane.
What is the SMILES notation for 4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane?
The canonical SMILES for 4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane is CCCN(CC)c1ccc(N(C)CC#CCCS(=O)(=O)c2ccccn2)c(C)c1.COC.
What is the InChIKey of 4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane?
The InChIKey is RXJIFAWCSBTKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2S.C2H6O/c1-5-16-26(6-2)21-13-14-22(20(3)19-21)25(4)17-10-7-11-18-29(27,28)23-12-8-9-15-24-23;1-3-2/h8-9,12-15,19H,5-6,11,16-18H2,1-4H3;1-2H3.
What are the key properties of 4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane?
4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane has a molecular weight of 459.66 g/mol, XLogP of 4.19, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N,2-dimethyl-4-N-propyl-1-N-(5-pyridin-2-ylsulfonylpent-2-ynyl)benzene-1,4-diamine;methoxymethane is sourced from PubChem (CID 142102070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).