4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide

C18H23NO4S — CID 110782101

IUPAC4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)c(C)c2)cc1
InChIInChI=1S/C18H23NO4S/c1-13(2)23-18-10-5-15(11-14(18)3)12-19-24(20,21)17-8-6-16(22-4)7-9-17/h5-11,13,19H,12H2,1-4H3
InChIKeyNGIHOBLGVIPKTG-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.27
Rot. Bonds7

About 4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide

4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide (PubChem CID 110782101) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
PubChem CID110782101
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)c(C)c2)cc1
InChIInChI=1S/C18H23NO4S/c1-13(2)23-18-10-5-15(11-14(18)3)12-19-24(20,21)17-8-6-16(22-4)7-9-17/h5-11,13,19H,12H2,1-4H3
InChIKeyNGIHOBLGVIPKTG-UHFFFAOYSA-N
XLogP3.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide 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-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46778268
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
4-(2-methoxyethoxy)-3-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 55639328
N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 91669706
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 110788857
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide (CID 110782101) is 4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)c(C)c2)cc1.
What is the InChIKey of 4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
The InChIKey is NGIHOBLGVIPKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-13(2)23-18-10-5-15(11-14(18)3)12-19-24(20,21)17-8-6-16(22-4)7-9-17/h5-11,13,19H,12H2,1-4H3.
What are the key properties of 4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide?
4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 110782101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).