N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide

C17H20N2O5S2 — CID 2380780

IUPACN-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide
SMILESCN(c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O5S2/c1-18(26(21,22)17-3-2-12-25-17)14-4-6-15(7-5-14)24-13-16(20)19-8-10-23-11-9-19/h2-7,12H,8-11,13H2,1H3
InChIKeyXFHIJJUOCYIYBN-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.81
Rot. Bonds6

About N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide

N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 2380780) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID2380780
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC NameN-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide
SMILESCN(c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H20N2O5S2/c1-18(26(21,22)17-3-2-12-25-17)14-4-6-15(7-5-14)24-13-16(20)19-8-10-23-11-9-19/h2-7,12H,8-11,13H2,1H3
InChIKeyXFHIJJUOCYIYBN-UHFFFAOYSA-N
XLogP1.81
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide
CID 56537916
N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide
CID 55330191
N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2988947
N,4-dimethyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzenesulfonamide
CID 1190688
methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
CID 112788312
N-[4-[2-[(2S)-2-[(2R)-2-hydroxypropyl]pyrrolidin-1-yl]-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
CID 97086808
N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057856
(2-amino-2-oxoethyl) 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 8820335
N-(2-methylpropyl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
CID 26057857
N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide
CID 55764371
ethyl 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-2-carboxylate
CID 55733643

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide (CID 2380780) is N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide is CN(c1ccc(OCC(=O)N2CCOCC2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is XFHIJJUOCYIYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-18(26(21,22)17-3-2-12-25-17)14-4-6-15(7-5-14)24-13-16(20)19-8-10-23-11-9-19/h2-7,12H,8-11,13H2,1H3.
What are the key properties of N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide?
N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 396.49 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2380780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).