N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide

C24H22ClN3O3S — CID 144621594

IUPACN-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide
SMILESCCN(c1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4occc34)c2)cc1)S(=O)CC
InChIInChI=1S/C24H22ClN3O3S/c1-3-28(32(30)4-2)18-8-5-16(6-9-18)24(29)27-17-7-10-21(25)20(15-17)23-19-12-14-31-22(19)11-13-26-23/h5-15H,3-4H2,1-2H3,(H,27,29)
InChIKeyUGIHHEITNPSIAK-UHFFFAOYSA-N
MW467.98 g/mol
LogP5.91
Rot. Bonds7

About N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide

N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide (PubChem CID 144621594) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide
PubChem CID144621594
Molecular FormulaC24H22ClN3O3S
Molecular Weight467.98 g/mol
Exact Mass467.11
IUPAC NameN-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide
SMILESCCN(c1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4occc34)c2)cc1)S(=O)CC
InChIInChI=1S/C24H22ClN3O3S/c1-3-28(32(30)4-2)18-8-5-16(6-9-18)24(29)27-17-7-10-21(25)20(15-17)23-19-12-14-31-22(19)11-13-26-23/h5-15H,3-4H2,1-2H3,(H,27,29)
InChIKeyUGIHHEITNPSIAK-UHFFFAOYSA-N
XLogP5.91
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.98
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butane;N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1,2,6-thiadiazinan-2-yl)benzamide
CID 144621480
N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
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N-(3-chloro-5-isoquinolin-1-ylphenyl)-4-[ethyl(propylsulfinyl)amino]benzamide
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2-chloro-5-[[4-[ethyl(methyl)amino]benzoyl]amino]-N-phenylbenzamide
CID 86954752
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CID 118463107
N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1,3-thiazole-2-carboxamide
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N-(4-chloro-3-isoquinolin-1-ylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 70933882
N-(4-chloro-3-isoquinolin-1-ylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 70933679
N-[4-chloro-3-[5-(hydroxymethyl)-2-pyridinyl]phenyl]-4-(methylsulfinylmethyl)benzamide
CID 143198894
N-(4-chloro-3-isoquinolin-1-ylphenyl)-2,4,5-trimethoxybenzamide
CID 71263531
N-[3-[(4-chloro-3-isoquinolin-1-ylphenyl)carbamothioylamino]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide?
The IUPAC name of N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide (CID 144621594) is N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide.
What is the SMILES notation for N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide?
The canonical SMILES for N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide is CCN(c1ccc(C(=O)Nc2ccc(Cl)c(-c3nccc4occc34)c2)cc1)S(=O)CC.
What is the InChIKey of N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide?
The InChIKey is UGIHHEITNPSIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-3-28(32(30)4-2)18-8-5-16(6-9-18)24(29)27-17-7-10-21(25)20(15-17)23-19-12-14-31-22(19)11-13-26-23/h5-15H,3-4H2,1-2H3,(H,27,29).
What are the key properties of N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide?
N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide has a molecular weight of 467.98 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-[ethyl(ethylsulfinyl)amino]benzamide is sourced from PubChem (CID 144621594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).