N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide

C25H25ClN4O4S — CID 144621930

IUPACN-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ncccc2N2CCOCC2)c1)c1ccc(N2CCOCS2=O)cc1
InChIInChI=1S/C25H25ClN4O4S/c26-22-8-5-19(16-21(22)24-23(2-1-9-27-24)29-10-13-33-14-11-29)28-25(31)18-3-6-20(7-4-18)30-12-15-34-17-35(30)32/h1-9,16H,10-15,17H2,(H,28,31)
InChIKeyHFWMTLWVVFUYAY-UHFFFAOYSA-N
MW513.02 g/mol
LogP3.95
Rot. Bonds5

About N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide

N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide (PubChem CID 144621930) has the molecular formula C25H25ClN4O4S and a molecular weight of 513.02 g/mol. Its IUPAC name is N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide
PubChem CID144621930
Molecular FormulaC25H25ClN4O4S
Molecular Weight513.02 g/mol
Exact Mass512.13
IUPAC NameN-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide
SMILESO=C(Nc1ccc(Cl)c(-c2ncccc2N2CCOCC2)c1)c1ccc(N2CCOCS2=O)cc1
InChIInChI=1S/C25H25ClN4O4S/c26-22-8-5-19(16-21(22)24-23(2-1-9-27-24)29-10-13-33-14-11-29)28-25(31)18-3-6-20(7-4-18)30-12-15-34-17-35(30)32/h1-9,16H,10-15,17H2,(H,28,31)
InChIKeyHFWMTLWVVFUYAY-UHFFFAOYSA-N
XLogP3.95
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.02
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-2-chlorobut-2-ene;N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide;ethenamine
CID 144620958
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide
CID 144621872
N-(4-chloro-3-furo[3,2-c]pyridin-4-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621769
N-(3-benzamido-4-chlorophenyl)-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-methylbenzamide;N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzamide;4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)-N-(5-methylnaphthalen-1-yl)benzamide
CID 158385641
2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylbenzamide
CID 70933529
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(1-oxothiazinan-2-yl)benzamide
CID 144620837
N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylbenzamide;formaldehyde;methanol;4-methylmorpholine
CID 143831215
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
CID 118463107
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(morpholine-4-carboximidoyl)benzamide;N-(4-chloro-3-pyridin-2-ylphenyl)-4-(piperidine-1-carboximidoyl)benzamide
CID 161194987
N-[4-chloro-3-(4-fluoro-2-pyridinyl)phenyl]-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide;chloromethane;ethene;methanamine
CID 144621315
N-[4-(azepan-1-yl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide
CID 11153979
N-[4-chloro-3-(4-cyano-2-pyridinyl)phenyl]-4-(4-oxo-1,4,3-oxathiazinan-3-yl)benzamide;methoxymethane
CID 144621624

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide?
The IUPAC name of N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide (CID 144621930) is N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide?
The canonical SMILES for N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide is O=C(Nc1ccc(Cl)c(-c2ncccc2N2CCOCC2)c1)c1ccc(N2CCOCS2=O)cc1.
What is the InChIKey of N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide?
The InChIKey is HFWMTLWVVFUYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O4S/c26-22-8-5-19(16-21(22)24-23(2-1-9-27-24)29-10-13-33-14-11-29)28-25(31)18-3-6-20(7-4-18)30-12-15-34-17-35(30)32/h1-9,16H,10-15,17H2,(H,28,31).
What are the key properties of N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide?
N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide has a molecular weight of 513.02 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(3-morpholin-4-yl-2-pyridinyl)phenyl]-4-(3-oxo-1,3,4-oxathiazinan-4-yl)benzamide is sourced from PubChem (CID 144621930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).