N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide

C14H17F2N3O4S — CID 49090622

IUPACN-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide
SMILESO=C(CNC(=O)c1cc(F)cc(F)c1)NCCN1CCCS1(=O)=O
InChIInChI=1S/C14H17F2N3O4S/c15-11-6-10(7-12(16)8-11)14(21)18-9-13(20)17-2-4-19-3-1-5-24(19,22)23/h6-8H,1-5,9H2,(H,17,20)(H,18,21)
InChIKeySOPFVJMWMCIQKH-UHFFFAOYSA-N
MW361.37 g/mol
LogP-0.15
Rot. Bonds6

About N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide

N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide (PubChem CID 49090622) has the molecular formula C14H17F2N3O4S and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide
PubChem CID49090622
Molecular FormulaC14H17F2N3O4S
Molecular Weight361.37 g/mol
Exact Mass361.09
IUPAC NameN-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide
SMILESO=C(CNC(=O)c1cc(F)cc(F)c1)NCCN1CCCS1(=O)=O
InChIInChI=1S/C14H17F2N3O4S/c15-11-6-10(7-12(16)8-11)14(21)18-9-13(20)17-2-4-19-3-1-5-24(19,22)23/h6-8H,1-5,9H2,(H,17,20)(H,18,21)
InChIKeySOPFVJMWMCIQKH-UHFFFAOYSA-N
XLogP-0.15
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-4-fluorobenzamide
CID 110720894
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-fluoro-2-iodobenzamide
CID 60616296
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110720940
2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide
CID 110720919
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-5-methylbenzamide
CID 49090758
3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide
CID 49090745
2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
CID 43387598
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 49067239
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
CID 110720874
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 49066048
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 49090761
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]acetamide
CID 49066002

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide?
The IUPAC name of N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide (CID 49090622) is N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide is O=C(CNC(=O)c1cc(F)cc(F)c1)NCCN1CCCS1(=O)=O.
What is the InChIKey of N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide?
The InChIKey is SOPFVJMWMCIQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O4S/c15-11-6-10(7-12(16)8-11)14(21)18-9-13(20)17-2-4-19-3-1-5-24(19,22)23/h6-8H,1-5,9H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide?
N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide has a molecular weight of 361.37 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethylamino]-2-oxoethyl]-3,5-difluorobenzamide is sourced from PubChem (CID 49090622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).