N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide

C20H27NO4S — CID 22772320

IUPACN-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H27NO4S/c1-14(15-7-9-16(10-8-15)20(2,3)4)21-26(22,23)19-12-11-17(24-5)13-18(19)25-6/h7-14,21H,1-6H3
InChIKeyOHZFMNRUEGAWFJ-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.04
Rot. Bonds6

About N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide

N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 22772320) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID22772320
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)c(OC)c1
InChIInChI=1S/C20H27NO4S/c1-14(15-7-9-16(10-8-15)20(2,3)4)21-26(22,23)19-12-11-17(24-5)13-18(19)25-6/h7-14,21H,1-6H3
InChIKeyOHZFMNRUEGAWFJ-UHFFFAOYSA-N
XLogP4.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
2,4-dimethoxy-N-[(1S)-1-pyridin-4-ylethyl]benzenesulfonamide
CID 40790424
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-3-methoxy-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100518038
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133199241
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394
4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 100585926
N-[1-(4-butan-2-ylphenyl)propyl]-2,4-dimethoxybenzenesulfonamide
CID 22201208
N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 43001312
2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724455

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide (CID 22772320) is N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)c(OC)c1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is OHZFMNRUEGAWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-14(15-7-9-16(10-8-15)20(2,3)4)21-26(22,23)19-12-11-17(24-5)13-18(19)25-6/h7-14,21H,1-6H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide?
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22772320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).