N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide

C18H22N2O5S2 — CID 5304520

IUPACN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccs2)cc(C)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C18H22N2O5S2/c1-13-10-15(19-27(22,23)17-4-3-9-26-17)11-14(2)18(13)25-12-16(21)20-5-7-24-8-6-20/h3-4,9-11,19H,5-8,12H2,1-2H3
InChIKeyRCBZBXMAAFKPKT-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.40
Rot. Bonds6

About N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide

N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 5304520) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID5304520
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC NameN-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccs2)cc(C)c1OCC(=O)N1CCOCC1
InChIInChI=1S/C18H22N2O5S2/c1-13-10-15(19-27(22,23)17-4-3-9-26-17)11-14(2)18(13)25-12-16(21)20-5-7-24-8-6-20/h3-4,9-11,19H,5-8,12H2,1-2H3
InChIKeyRCBZBXMAAFKPKT-UHFFFAOYSA-N
XLogP2.40
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide
CID 2380780
2-[4-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenoxy]-1-morpholin-4-ylethanone
CID 168639205
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate
CID 25046514
N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 51698921
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]thiophene-2-sulfonamide
CID 110285618
[2-(azepan-1-yl)-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate
CID 25045245
2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952262
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705049
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 3691440
2-[2-(ethylaminomethyl)-6-methylphenoxy]-1-morpholin-4-ylethanone
CID 115952712
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2642115

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide (CID 5304520) is N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2cccs2)cc(C)c1OCC(=O)N1CCOCC1.
What is the InChIKey of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is RCBZBXMAAFKPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-13-10-15(19-27(22,23)17-4-3-9-26-17)11-14(2)18(13)25-12-16(21)20-5-7-24-8-6-20/h3-4,9-11,19H,5-8,12H2,1-2H3.
What are the key properties of N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide?
N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 410.52 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 5304520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).