2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide

C18H25N3O3S — CID 113024189

IUPAC2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(NCC(C)C)cn1
InChIInChI=1S/C18H25N3O3S/c1-12(2)10-19-15-6-7-18(20-11-15)21-25(22,23)17-9-14(4)13(3)8-16(17)24-5/h6-9,11-12,19H,10H2,1-5H3,(H,20,21)
InChIKeyAEVIGKDMFDWDKW-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.58
Rot. Bonds7

About 2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide

2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113024189) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113024189
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(NCC(C)C)cn1
InChIInChI=1S/C18H25N3O3S/c1-12(2)10-19-15-6-7-18(20-11-15)21-25(22,23)17-9-14(4)13(3)8-16(17)24-5/h6-9,11-12,19H,10H2,1-5H3,(H,20,21)
InChIKeyAEVIGKDMFDWDKW-UHFFFAOYSA-N
XLogP3.58
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(butan-2-ylamino)-3-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113009809
2-methoxy-4,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027719
2-methoxy-4,5-dimethyl-N-[6-(prop-2-enylamino)-3-pyridinyl]benzenesulfonamide
CID 113009412
4-methoxy-N-[5-(2-methoxyethylamino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113025121
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
N-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113025801
2-(dimethylsulfamoylamino)-5-(2-methylpropylamino)pyridine
CID 113024164
5-amino-N-(5-fluoro-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959391
4-fluoro-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]benzenesulfonamide
CID 113009667
N-(5-chloro-2-pyridinyl)-2-ethoxy-4,5-dimethylbenzenesulfonamide
CID 6473352
5-amino-N-(5-bromo-2-pyridinyl)-2-methoxy-4-methylbenzenesulfonamide
CID 79961728
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113031119

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide (CID 113024189) is 2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(NCC(C)C)cn1.
What is the InChIKey of 2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is AEVIGKDMFDWDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-12(2)10-19-15-6-7-18(20-11-15)21-25(22,23)17-9-14(4)13(3)8-16(17)24-5/h6-9,11-12,19H,10H2,1-5H3,(H,20,21).
What are the key properties of 2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide?
2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5-dimethyl-N-[5-(2-methylpropylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113024189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).