N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide

C18H24N2O5S2 — CID 3691440

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H24N2O5S2/c1-3-24-16-13-15(20-7-9-23-10-8-20)17(25-4-2)12-14(16)19-27(21,22)18-6-5-11-26-18/h5-6,11-13,19H,3-4,7-10H2,1-2H3
InChIKeyKEKKSOVRRBVLNT-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.18
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide (PubChem CID 3691440) has the molecular formula C18H24N2O5S2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
PubChem CID3691440
Molecular FormulaC18H24N2O5S2
Molecular Weight412.53 g/mol
Exact Mass412.11
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C18H24N2O5S2/c1-3-24-16-13-15(20-7-9-23-10-8-20)17(25-4-2)12-14(16)19-27(21,22)18-6-5-11-26-18/h5-6,11-13,19H,3-4,7-10H2,1-2H3
InChIKeyKEKKSOVRRBVLNT-UHFFFAOYSA-N
XLogP3.18
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
CID 2747437
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-difluorobenzenesulfonamide
CID 25040469
4-acetyl-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3667102
methyl 5-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-2-hydroxybenzoate
CID 55879787
N-[3-[(2,5-diethoxy-4-morpholin-4-ylphenyl)sulfamoyl]-4-methoxyphenyl]acetamide
CID 4847534
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26663462
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 21008110
5-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 3701408
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 26413933
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide (CID 3691440) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is KEKKSOVRRBVLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S2/c1-3-24-16-13-15(20-7-9-23-10-8-20)17(25-4-2)12-14(16)19-27(21,22)18-6-5-11-26-18/h5-6,11-13,19H,3-4,7-10H2,1-2H3.
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 412.53 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3691440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).