4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide

C21H19N3O3S — CID 56548251

IUPAC4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide
SMILESCCSc1ccc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cn1
InChIInChI=1S/C21H19N3O3S/c1-2-28-19-12-7-16(13-23-19)24-21(26)15-5-10-18(11-6-15)27-17-8-3-14(4-9-17)20(22)25/h3-13H,2H2,1H3,(H2,22,25)(H,24,26)
InChIKeyLXNXVALCIDEBJM-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.34
Rot. Bonds7

About 4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide

4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide (PubChem CID 56548251) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide
PubChem CID56548251
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide
SMILESCCSc1ccc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cn1
InChIInChI=1S/C21H19N3O3S/c1-2-28-19-12-7-16(13-23-19)24-21(26)15-5-10-18(11-6-15)27-17-8-3-14(4-9-17)20(22)25/h3-13H,2H2,1H3,(H2,22,25)(H,24,26)
InChIKeyLXNXVALCIDEBJM-UHFFFAOYSA-N
XLogP4.34
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
CID 56545946
4-[[4-(4-carbamoylphenoxy)benzoyl]amino]-N-propylbenzamide
CID 56549078
4-[4-[(3-propoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545720
4-[4-[(4-pyrimidin-2-yloxyphenyl)carbamoyl]phenoxy]benzamide
CID 56548979
N-(6-ethylsulfanyl-3-pyridinyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 71882932
1-[[4-(difluoromethoxy)phenyl]methyl]-3-(6-ethylsulfanyl-3-pyridinyl)-1-methylurea
CID 60603061
4-[4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]carbamoyl]phenoxy]benzamide
CID 56548654
4-[4-(hydrazinecarbonyl)phenoxy]benzamide
CID 145084998
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 54787908
6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 50843863

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide (CID 56548251) is 4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide is CCSc1ccc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cn1.
What is the InChIKey of 4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide?
The InChIKey is LXNXVALCIDEBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-2-28-19-12-7-16(13-23-19)24-21(26)15-5-10-18(11-6-15)27-17-8-3-14(4-9-17)20(22)25/h3-13H,2H2,1H3,(H2,22,25)(H,24,26).
What are the key properties of 4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide?
4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide has a molecular weight of 393.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(6-ethylsulfanyl-3-pyridinyl)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56548251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).