N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide

C21H22N2O5S2 — CID 27989966

IUPACN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C21H22N2O5S2/c1-2-28-18-8-7-16(30(25,26)23-9-11-27-12-10-23)14-17(18)22-21(24)20-13-15-5-3-4-6-19(15)29-20/h3-8,13-14H,2,9-12H2,1H3,(H,22,24)
InChIKeyUGUHRESXYHWOFF-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.57
Rot. Bonds6

About N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide (PubChem CID 27989966) has the molecular formula C21H22N2O5S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
PubChem CID27989966
Molecular FormulaC21H22N2O5S2
Molecular Weight446.55 g/mol
Exact Mass446.10
IUPAC NameN-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2ccccc2s1
InChIInChI=1S/C21H22N2O5S2/c1-2-28-18-8-7-16(30(25,26)23-9-11-27-12-10-23)14-17(18)22-21(24)20-13-15-5-3-4-6-19(15)29-20/h3-8,13-14H,2,9-12H2,1H3,(H,22,24)
InChIKeyUGUHRESXYHWOFF-UHFFFAOYSA-N
XLogP3.57
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2,6-difluorobenzamide
CID 26892844
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-fluorobenzamide
CID 7719519
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 8501995
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylbutanamide
CID 46511351
5-chloro-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 39802239
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-fluorophenyl)acetamide
CID 7719521
3-cyano-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 7936853
(E)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6215014
N-(2-ethoxyphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 650265
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55864762
(2S)-2-amino-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)propanamide;hydrochloride
CID 119268074
2-(2,6-dichlorophenyl)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4881777

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide (CID 27989966) is N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is UGUHRESXYHWOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5S2/c1-2-28-18-8-7-16(30(25,26)23-9-11-27-12-10-23)14-17(18)22-21(24)20-13-15-5-3-4-6-19(15)29-20/h3-8,13-14H,2,9-12H2,1H3,(H,22,24).
What are the key properties of N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide?
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 27989966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).