N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide

C16H22N2O3S2 — CID 45003249

IUPACN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2ccc(C)s2)N(C)C)c1
InChIInChI=1S/C16H22N2O3S2/c1-12-8-9-16(22-12)23(19,20)17-11-15(18(2)3)13-6-5-7-14(10-13)21-4/h5-10,15,17H,11H2,1-4H3
InChIKeySTFJEOSFBKKKMX-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.65
Rot. Bonds7

About N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide

N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 45003249) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID45003249
Molecular FormulaC16H22N2O3S2
Molecular Weight354.50 g/mol
Exact Mass354.11
IUPAC NameN-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide
SMILESCOc1cccc(C(CNS(=O)(=O)c2ccc(C)s2)N(C)C)c1
InChIInChI=1S/C16H22N2O3S2/c1-12-8-9-16(22-12)23(19,20)17-11-15(18(2)3)13-6-5-7-14(10-13)21-4/h5-10,15,17H,11H2,1-4H3
InChIKeySTFJEOSFBKKKMX-UHFFFAOYSA-N
XLogP2.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide
CID 112506789
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 51473251
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387137
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-5-methylthiophene-2-sulfonamide
CID 16932760
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55511967
5-bromo-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]thiophene-2-sulfonamide
CID 55353993
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 55871022
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
(E)-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylethenesulfonamide
CID 51169691
N-[2-(dimethylamino)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 16907069
N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-sulfonamide
CID 94018205
N'-ethyl-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 43177837

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide (CID 45003249) is N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide is COc1cccc(C(CNS(=O)(=O)c2ccc(C)s2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is STFJEOSFBKKKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c1-12-8-9-16(22-12)23(19,20)17-11-15(18(2)3)13-6-5-7-14(10-13)21-4/h5-10,15,17H,11H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 354.50 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 45003249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).