2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide

C19H26N2O3S2 — CID 31463096

IUPAC2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC[C@H](c2cccs2)N2CCOCC2)c(C)c1
InChIInChI=1S/C19H26N2O3S2/c1-14-11-15(2)19(16(3)12-14)26(22,23)20-13-17(18-5-4-10-25-18)21-6-8-24-9-7-21/h4-5,10-12,17,20H,6-9,13H2,1-3H3/t17-/m1/s1
InChIKeyMBPZUOYDDKWAEE-QGZVFWFLSA-N
MW394.56 g/mol
LogP3.03
Rot. Bonds6

About 2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide

2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide (PubChem CID 31463096) has the molecular formula C19H26N2O3S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
PubChem CID31463096
Molecular FormulaC19H26N2O3S2
Molecular Weight394.56 g/mol
Exact Mass394.14
IUPAC Name2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NC[C@H](c2cccs2)N2CCOCC2)c(C)c1
InChIInChI=1S/C19H26N2O3S2/c1-14-11-15(2)19(16(3)12-14)26(22,23)20-13-17(18-5-4-10-25-18)21-6-8-24-9-7-21/h4-5,10-12,17,20H,6-9,13H2,1-3H3/t17-/m1/s1
InChIKeyMBPZUOYDDKWAEE-QGZVFWFLSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 45003189
3-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835865
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2,4,6-trimethylbenzenesulfonamide
CID 16810191
2,5-difluoro-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 30835869
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,4,6-trimethylbenzenesulfonamide
CID 90500302
2,4,6-trimethyl-N-[(2S)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 41193478
6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 35574751
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 40774908
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2,4,6-trimethylbenzenesulfonamide
CID 90524165
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-2,4,6-trimethylbenzenesulfonamide
CID 41193669
2-methyl-5-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]sulfamoyl]benzoic acid
CID 129414253
4,6-dimethyl-2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]pyridine-3-carboxamide
CID 17445790

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide (CID 31463096) is 2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NC[C@H](c2cccs2)N2CCOCC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide?
The InChIKey is MBPZUOYDDKWAEE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O3S2/c1-14-11-15(2)19(16(3)12-14)26(22,23)20-13-17(18-5-4-10-25-18)21-6-8-24-9-7-21/h4-5,10-12,17,20H,6-9,13H2,1-3H3/t17-/m1/s1.
What are the key properties of 2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide?
2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide has a molecular weight of 394.56 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzenesulfonamide is sourced from PubChem (CID 31463096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).