N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide

C19H25NO4S — CID 102320005

IUPACN-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
SMILESCCOC(CCNS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H25NO4S/c1-4-24-19(16-7-9-17(23-3)10-8-16)13-14-20-25(21,22)18-11-5-15(2)6-12-18/h5-12,19-20H,4,13-14H2,1-3H3
InChIKeyARTWGRVTZZQFHG-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.45
Rot. Bonds9

About N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide

N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide (PubChem CID 102320005) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
PubChem CID102320005
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
SMILESCCOC(CCNS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H25NO4S/c1-4-24-19(16-7-9-17(23-3)10-8-16)13-14-20-25(21,22)18-11-5-15(2)6-12-18/h5-12,19-20H,4,13-14H2,1-3H3
InChIKeyARTWGRVTZZQFHG-UHFFFAOYSA-N
XLogP3.45
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-3-(4-methoxyphenyl)-3-prop-2-enoxypropyl]-4-methylbenzenesulfonamide
CID 102381092
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 166440574
N-[(2S)-2-(4-tert-butylphenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide
CID 139204992
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]pentyl]benzenesulfonamide
CID 3409975
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545
4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
CID 3739700
N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040
ethyl 2-deuterio-2-[(4-methoxybenzoyl)amino]-5-[(4-methylphenyl)sulfonylamino]pentanoate
CID 172880304
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699

Frequently Asked Questions

What is the IUPAC name of N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide (CID 102320005) is N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide is CCOC(CCNS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide?
The InChIKey is ARTWGRVTZZQFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-4-24-19(16-7-9-17(23-3)10-8-16)13-14-20-25(21,22)18-11-5-15(2)6-12-18/h5-12,19-20H,4,13-14H2,1-3H3.
What are the key properties of N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide?
N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102320005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).