N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

C21H24N4O5S2 — CID 3676579

IUPACN-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)N2CCC(N3C(=O)OC4Cc5ccccc5C43)CC2)s1
InChIInChI=1S/C21H24N4O5S2/c1-12-19(31-20(22-12)23-13(2)26)32(28,29)24-9-7-15(8-10-24)25-18-16-6-4-3-5-14(16)11-17(18)30-21(25)27/h3-6,15,17-18H,7-11H2,1-2H3,(H,22,23,26)
InChIKeyKQPIDXFSXYLIMB-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.68
Rot. Bonds4

About N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 3676579) has the molecular formula C21H24N4O5S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
PubChem CID3676579
Molecular FormulaC21H24N4O5S2
Molecular Weight476.58 g/mol
Exact Mass476.12
IUPAC NameN-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(S(=O)(=O)N2CCC(N3C(=O)OC4Cc5ccccc5C43)CC2)s1
InChIInChI=1S/C21H24N4O5S2/c1-12-19(31-20(22-12)23-13(2)26)32(28,29)24-9-7-15(8-10-24)25-18-16-6-4-3-5-14(16)11-17(18)30-21(25)27/h3-6,15,17-18H,7-11H2,1-2H3,(H,22,23,26)
InChIKeyKQPIDXFSXYLIMB-UHFFFAOYSA-N
XLogP2.68
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 3776031
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 3680527
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
1-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 3703063
N-[4-fluoro-2-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 5004977
2,2,2-trifluoro-N-[2-oxo-2-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]ethyl]acetamide
CID 3502204
N-[2-oxo-2-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]ethyl]thiophene-2-carboxamide
CID 3675011
methyl 6-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 3771364
N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 166110439
1-[1-[2-(3,4-dimethoxyphenyl)sulfanylacetyl]piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 5016051
N-[4-methyl-5-[3-oxo-4-[(1-pyridin-4-ylpiperidin-4-yl)amino]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 139896400
8-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-1-oxa-8-azaspiro[4.5]dec-2-ene-3-carboxamide
CID 110133805

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 3676579) is N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(S(=O)(=O)N2CCC(N3C(=O)OC4Cc5ccccc5C43)CC2)s1.
What is the InChIKey of N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is KQPIDXFSXYLIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S2/c1-12-19(31-20(22-12)23-13(2)26)32(28,29)24-9-7-15(8-10-24)25-18-16-6-4-3-5-14(16)11-17(18)30-21(25)27/h3-6,15,17-18H,7-11H2,1-2H3,(H,22,23,26).
What are the key properties of N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 476.58 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3676579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).