N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane

C19H23ClN4O5S2 — CID 87602795

IUPACN-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane
SMILESC.CC(=O)Nc1ncc(S(=O)(=O)N2CCC(N3C(=O)OCc4c(Cl)cccc43)CC2)s1
InChIInChI=1S/C18H19ClN4O5S2.CH4/c1-11(24)21-17-20-9-16(29-17)30(26,27)22-7-5-12(6-8-22)23-15-4-2-3-14(19)13(15)10-28-18(23)25;/h2-4,9,12H,5-8,10H2,1H3,(H,20,21,24);1H4
InChIKeyLVBAWZCZVDJWSK-UHFFFAOYSA-N
MW487.00 g/mol
LogP3.70
Rot. Bonds4

About N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane

N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane (PubChem CID 87602795) has the molecular formula C19H23ClN4O5S2 and a molecular weight of 487.00 g/mol. Its IUPAC name is N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane.

Molecular Properties

Compound NameN-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane
PubChem CID87602795
Molecular FormulaC19H23ClN4O5S2
Molecular Weight487.00 g/mol
Exact Mass486.08
IUPAC NameN-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane
SMILESC.CC(=O)Nc1ncc(S(=O)(=O)N2CCC(N3C(=O)OCc4c(Cl)cccc43)CC2)s1
InChIInChI=1S/C18H19ClN4O5S2.CH4/c1-11(24)21-17-20-9-16(29-17)30(26,27)22-7-5-12(6-8-22)23-15-4-2-3-14(19)13(15)10-28-18(23)25;/h2-4,9,12H,5-8,10H2,1H3,(H,20,21,24);1H4
InChIKeyLVBAWZCZVDJWSK-UHFFFAOYSA-N
XLogP3.70
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.00
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[4-(3-cyclopropyl-2,4-dioxoimidazolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 126850994
5-chloro-1-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 68530897
5-chloro-1-[1-[(5-methyl-6H-[1,2]thiazolo[4,5-c]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 90719882
1-[1-(4-bromo-3-methylphenyl)sulfonylpiperidin-4-yl]-5-chloro-4H-3,1-benzoxazin-2-one
CID 68531356
5-chloro-1-(1-quinolin-6-ylsulfonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one
CID 69028522
5-chloro-1-[1-[(5-methyl-2H-[1,2,5]thiadiazolo[2,3-a]pyridin-4-yl)sulfonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 68531275
5-chloro-1-[1-(4-fluoronaphthalen-1-yl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 68532698
N-[5-(4-cyclohexylpiperazin-1-yl)sulfonyl-1,3-thiazol-2-yl]acetamide
CID 42560676
1-[1-[4-bromo-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-5-chloro-4H-3,1-benzoxazin-2-one
CID 68531724
N-[5-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 154581936
N-[5-[4-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87486334
N-[5-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 27242370

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane?
The IUPAC name of N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane (CID 87602795) is N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane.
What is the SMILES notation for N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane?
The canonical SMILES for N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane is C.CC(=O)Nc1ncc(S(=O)(=O)N2CCC(N3C(=O)OCc4c(Cl)cccc43)CC2)s1.
What is the InChIKey of N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane?
The InChIKey is LVBAWZCZVDJWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O5S2.CH4/c1-11(24)21-17-20-9-16(29-17)30(26,27)22-7-5-12(6-8-22)23-15-4-2-3-14(19)13(15)10-28-18(23)25;/h2-4,9,12H,5-8,10H2,1H3,(H,20,21,24);1H4.
What are the key properties of N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane?
N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane has a molecular weight of 487.00 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(5-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide;methane is sourced from PubChem (CID 87602795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).