4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide

C18H16ClN3O4S2 — CID 46389231

IUPAC4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cn2)cc1
InChIInChI=1S/C18H16ClN3O4S2/c1-2-20-18(23)12-3-6-14(7-4-12)26-16-9-5-13(11-21-16)22-28(24,25)17-10-8-15(19)27-17/h3-11,22H,2H2,1H3,(H,20,23)
InChIKeyGJYKJWTUOVYHER-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.14
Rot. Bonds7

About 4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide

4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide (PubChem CID 46389231) has the molecular formula C18H16ClN3O4S2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide
PubChem CID46389231
Molecular FormulaC18H16ClN3O4S2
Molecular Weight437.93 g/mol
Exact Mass437.03
IUPAC Name4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cn2)cc1
InChIInChI=1S/C18H16ClN3O4S2/c1-2-20-18(23)12-3-6-14(7-4-12)26-16-9-5-13(11-21-16)22-28(24,25)17-10-8-15(19)27-17/h3-11,22H,2H2,1H3,(H,20,23)
InChIKeyGJYKJWTUOVYHER-UHFFFAOYSA-N
XLogP4.14
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53120059
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53120065
N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120103
6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120026
4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[(2-methyltriazol-4-yl)methyl]benzamide
CID 154836612
4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 46389220
2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120306
4-[[5-[(4-bromophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-prop-2-enylbenzamide
CID 46389249
5-chloro-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010420
N-(6-amino-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 55025745
4-[(5-chlorothiophen-2-yl)sulfonylamino]-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 154837176
6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120121

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide?
The IUPAC name of 4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide (CID 46389231) is 4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide.
What is the SMILES notation for 4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide?
The canonical SMILES for 4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide is CCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cn2)cc1.
What is the InChIKey of 4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide?
The InChIKey is GJYKJWTUOVYHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4S2/c1-2-20-18(23)12-3-6-14(7-4-12)26-16-9-5-13(11-21-16)22-28(24,25)17-10-8-15(19)27-17/h3-11,22H,2H2,1H3,(H,20,23).
What are the key properties of 4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide?
4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide has a molecular weight of 437.93 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide is sourced from PubChem (CID 46389231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).