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

C14H18ClN3O4S — CID 112505677

IUPACN-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C14H18ClN3O4S/c15-12-10-11(16-14(19)17-5-7-22-8-6-17)2-3-13(12)18-4-1-9-23(18,20)21/h2-3,10H,1,4-9H2,(H,16,19)
InChIKeyIGTLJAMVQCOHOD-UHFFFAOYSA-N
MW359.84 g/mol
LogP1.74
Rot. Bonds2

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

N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide (PubChem CID 112505677) has the molecular formula C14H18ClN3O4S and a molecular weight of 359.84 g/mol. Its IUPAC name is N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide
PubChem CID112505677
Molecular FormulaC14H18ClN3O4S
Molecular Weight359.84 g/mol
Exact Mass359.07
IUPAC NameN-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCS2(=O)=O)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C14H18ClN3O4S/c15-12-10-11(16-14(19)17-5-7-22-8-6-17)2-3-13(12)18-4-1-9-23(18,20)21/h2-3,10H,1,4-9H2,(H,16,19)
InChIKeyIGTLJAMVQCOHOD-UHFFFAOYSA-N
XLogP1.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-4-(1,1-dioxothiazinan-2-yl)phenyl]-3-phenylurea
CID 112505387
(2S)-2-amino-N-[3-chloro-4-(1,1-dioxothiazinan-2-yl)phenyl]propanamide
CID 22689828
2-chloro-4-(1,4-oxazepane-4-carbonylamino)benzoic acid
CID 62968868
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112505660
N-(3-chloro-4-methylphenyl)-4-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazine-1-carboxamide
CID 55971238
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110415994
N-[3-chloro-4-(1,1-dioxothiazinan-2-yl)phenyl]-3-methylsulfonylpropanamide
CID 110622893
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-pyridin-3-ylbutanamide
CID 110623052
1-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 100674947
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methoxyphenyl]-3-(oxan-4-yl)urea
CID 110623074

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide (CID 112505677) is N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide is O=C(Nc1ccc(N2CCCS2(=O)=O)c(Cl)c1)N1CCOCC1.
What is the InChIKey of N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide?
The InChIKey is IGTLJAMVQCOHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O4S/c15-12-10-11(16-14(19)17-5-7-22-8-6-17)2-3-13(12)18-4-1-9-23(18,20)21/h2-3,10H,1,4-9H2,(H,16,19).
What are the key properties of N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide?
N-[3-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]morpholine-4-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 1.74, 2 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]morpholine-4-carboxamide is sourced from PubChem (CID 112505677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).