N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide

C20H27NO5S — CID 133178714

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(OC)c(C(C)NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1
InChIInChI=1S/C20H27NO5S/c1-13(2)17-12-16(8-10-19(17)25-5)27(22,23)21-14(3)18-11-15(24-4)7-9-20(18)26-6/h7-14,21H,1-6H3
InChIKeyQKKONNQNPLNDSG-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.88
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide (PubChem CID 133178714) has the molecular formula C20H27NO5S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
PubChem CID133178714
Molecular FormulaC20H27NO5S
Molecular Weight393.51 g/mol
Exact Mass393.16
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(OC)c(C(C)NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1
InChIInChI=1S/C20H27NO5S/c1-13(2)17-12-16(8-10-19(17)25-5)27(22,23)21-14(3)18-11-15(24-4)7-9-20(18)26-6/h7-14,21H,1-6H3
InChIKeyQKKONNQNPLNDSG-UHFFFAOYSA-N
XLogP3.88
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 55681769
4-cyano-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 9190439
5-[1-(2,5-dimethoxyphenyl)ethylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 133203803
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 22206255
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 9190468
4-methoxy-N-[(2R)-3-methylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 100570121
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22206259
5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
CID 100553276
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide (CID 133178714) is N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide is COc1ccc(OC)c(C(C)NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide?
The InChIKey is QKKONNQNPLNDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5S/c1-13(2)17-12-16(8-10-19(17)25-5)27(22,23)21-14(3)18-11-15(24-4)7-9-20(18)26-6/h7-14,21H,1-6H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide has a molecular weight of 393.51 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 133178714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).