N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide

C18H23NO4S — CID 162663124

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide
SMILESCOc1ccc(CCN(C)S(=O)(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C18H23NO4S/c1-14-7-5-6-8-18(14)24(20,21)19(2)12-11-15-9-10-16(22-3)17(13-15)23-4/h5-10,13H,11-12H2,1-4H3
InChIKeySIVKBQXYBQHDKC-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.88
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide (PubChem CID 162663124) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide
PubChem CID162663124
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide
SMILESCOc1ccc(CCN(C)S(=O)(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C18H23NO4S/c1-14-7-5-6-8-18(14)24(20,21)19(2)12-11-15-9-10-16(22-3)17(13-15)23-4/h5-10,13H,11-12H2,1-4H3
InChIKeySIVKBQXYBQHDKC-UHFFFAOYSA-N
XLogP2.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tiapamil
CID 42107
N-(2-(3,4-Dimethoxyphenyl)ethyl)benzenesulfonamide
CID 748770
Diphenethylamine, N-methyl-3,3',4,4'-tetramethoxy-, monohydrochloride
CID 6917841
N,N-bis(3,4-dimethoxyphenethyl)-N-methylamine
CID 5714
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzene-1-sulfonamide
CID 703894
4-{2-[(3,4-Dimethoxybenzyl)amino]ethyl}benzenesulfonamide
CID 4722332
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenyl-2-propen-1-amine
CID 783192
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-methoxyphenyl)sulfonyl]amino}acetamide
CID 1728984
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 8470294
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(methylsulfonyl)piperidin-3-amine
CID 23723466
6,7-Dimethoxy-2-(4-methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline
CID 1072691
1-(3,4-Dimethoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122329

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide (CID 162663124) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide is COc1ccc(CCN(C)S(=O)(=O)c2ccccc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide?
The InChIKey is SIVKBQXYBQHDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-14-7-5-6-8-18(14)24(20,21)19(2)12-11-15-9-10-16(22-3)17(13-15)23-4/h5-10,13H,11-12H2,1-4H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 162663124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).