3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide

C20H27NO4S — CID 22772279

IUPAC3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H27NO4S/c1-6-18(16-9-7-15(8-10-16)14(2)3)21-26(22,23)17-11-12-19(24-4)20(13-17)25-5/h7-14,18,21H,6H2,1-5H3
InChIKeyYBWQWOVRPOFSJK-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.26
Rot. Bonds8

About 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide

3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide (PubChem CID 22772279) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
PubChem CID22772279
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC Name3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(C(C)C)cc1
InChIInChI=1S/C20H27NO4S/c1-6-18(16-9-7-15(8-10-16)14(2)3)21-26(22,23)17-11-12-19(24-4)20(13-17)25-5/h7-14,18,21H,6H2,1-5H3
InChIKeyYBWQWOVRPOFSJK-UHFFFAOYSA-N
XLogP4.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
4-methoxy-N-[1-(4-methoxyphenyl)propyl]-3-methylbenzenesulfonamide
CID 43904682
3-iodo-4-methoxy-N-[(1R)-1-(4-methylphenyl)propyl]benzenesulfonamide
CID 93486219
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 133210573
N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211
N-[1-(4-methoxy-3-methylphenyl)propyl]-4-methylbenzenesulfonamide
CID 133160247
3,4-dimethoxy-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzenesulfonamide
CID 20649447
N-[2-(dimethylamino)-1-phenylethyl]-3,4-dimethoxybenzenesulfonamide
CID 54774549
N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 51697625
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
CID 133199778

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide (CID 22772279) is 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide is CCC(NS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(C(C)C)cc1.
What is the InChIKey of 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide?
The InChIKey is YBWQWOVRPOFSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-6-18(16-9-7-15(8-10-16)14(2)3)21-26(22,23)17-11-12-19(24-4)20(13-17)25-5/h7-14,18,21H,6H2,1-5H3.
What are the key properties of 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide?
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 22772279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).