N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide

C19H20ClF2N3O3S — CID 55619728

IUPACN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)c2cccnc2SC(F)F)cc1Cl
InChIInChI=1S/C19H20ClF2N3O3S/c1-3-25(4-2)16(26)11-28-15-8-7-12(10-14(15)20)24-17(27)13-6-5-9-23-18(13)29-19(21)22/h5-10,19H,3-4,11H2,1-2H3,(H,24,27)
InChIKeyRDPRDMRLGBZLBU-UHFFFAOYSA-N
MW443.90 g/mol
LogP4.55
Rot. Bonds9

About N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide (PubChem CID 55619728) has the molecular formula C19H20ClF2N3O3S and a molecular weight of 443.90 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
PubChem CID55619728
Molecular FormulaC19H20ClF2N3O3S
Molecular Weight443.90 g/mol
Exact Mass443.09
IUPAC NameN-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)c2cccnc2SC(F)F)cc1Cl
InChIInChI=1S/C19H20ClF2N3O3S/c1-3-25(4-2)16(26)11-28-15-8-7-12(10-14(15)20)24-17(27)13-6-5-9-23-18(13)29-19(21)22/h5-10,19H,3-4,11H2,1-2H3,(H,24,27)
InChIKeyRDPRDMRLGBZLBU-UHFFFAOYSA-N
XLogP4.55
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.90
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
CID 55872621
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3,4-difluorobenzamide
CID 39171469
2-(difluoromethylsulfanyl)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 55947441
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
3-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]benzamide;hydrochloride
CID 119717718
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide
CID 55611108
2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide
CID 39171702
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26901535
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 46423572
N'-[4-(2,4-dichlorophenoxy)butanoyl]-2-(difluoromethylsulfanyl)pyridine-3-carbohydrazide
CID 24538204
2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 134013198
4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide
CID 120588524

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide (CID 55619728) is N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide is CCN(CC)C(=O)COc1ccc(NC(=O)c2cccnc2SC(F)F)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is RDPRDMRLGBZLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O3S/c1-3-25(4-2)16(26)11-28-15-8-7-12(10-14(15)20)24-17(27)13-6-5-9-23-18(13)29-19(21)22/h5-10,19H,3-4,11H2,1-2H3,(H,24,27).
What are the key properties of N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide?
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 443.90 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 55619728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).