N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide

C18H20ClN3O3S — CID 110623052

IUPACN-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide
SMILESO=C(CCCc1cccnc1)Nc1ccc(N2CCCS2(=O)=O)c(Cl)c1
InChIInChI=1S/C18H20ClN3O3S/c19-16-12-15(7-8-17(16)22-10-3-11-26(22,24)25)21-18(23)6-1-4-14-5-2-9-20-13-14/h2,5,7-9,12-13H,1,3-4,6,10-11H2,(H,21,23)
InChIKeyBLDOWGRVQWEVTD-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.24
Rot. Bonds6

About N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide

N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide (PubChem CID 110623052) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide
PubChem CID110623052
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide
SMILESO=C(CCCc1cccnc1)Nc1ccc(N2CCCS2(=O)=O)c(Cl)c1
InChIInChI=1S/C18H20ClN3O3S/c19-16-12-15(7-8-17(16)22-10-3-11-26(22,24)25)21-18(23)6-1-4-14-5-2-9-20-13-14/h2,5,7-9,12-13H,1,3-4,6,10-11H2,(H,21,23)
InChIKeyBLDOWGRVQWEVTD-UHFFFAOYSA-N
XLogP3.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide
CID 30697500
N-[3-chloro-4-(1,1-dioxothiazinan-2-yl)phenyl]-3-methylsulfonylpropanamide
CID 110622893
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110623140
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112505660
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-pyridin-3-ylbutanamide
CID 110623293
1-[3-chloro-4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylurea
CID 112505387
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110623032
4-chloro-3-(1,1-dioxothiazinan-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 7659014
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(furan-2-yl)propanamide
CID 110302234
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-(4-methylphenyl)butanamide
CID 110302263
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide
CID 112505677
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-4-pyridin-3-ylbutanamide
CID 110625480

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide (CID 110623052) is N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide is O=C(CCCc1cccnc1)Nc1ccc(N2CCCS2(=O)=O)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide?
The InChIKey is BLDOWGRVQWEVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-16-12-15(7-8-17(16)22-10-3-11-26(22,24)25)21-18(23)6-1-4-14-5-2-9-20-13-14/h2,5,7-9,12-13H,1,3-4,6,10-11H2,(H,21,23).
What are the key properties of N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide?
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide has a molecular weight of 393.90 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110623052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).