N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C20H26N4O4S2 — CID 55790845

IUPACN-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cs1
InChIInChI=1S/C20H26N4O4S2/c1-14(2)19(26)22-20-21-16(13-29-20)12-18(25)24-10-8-15(9-11-24)23-30(27,28)17-6-4-3-5-7-17/h3-7,13-15,23H,8-12H2,1-2H3,(H,21,22,26)
InChIKeyPOSJNXOHFVSTAH-UHFFFAOYSA-N
MW450.59 g/mol
LogP2.25
Rot. Bonds7

About N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 55790845) has the molecular formula C20H26N4O4S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID55790845
Molecular FormulaC20H26N4O4S2
Molecular Weight450.59 g/mol
Exact Mass450.14
IUPAC NameN-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(CC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cs1
InChIInChI=1S/C20H26N4O4S2/c1-14(2)19(26)22-20-21-16(13-29-20)12-18(25)24-10-8-15(9-11-24)23-30(27,28)17-6-4-3-5-7-17/h3-7,13-15,23H,8-12H2,1-2H3,(H,21,22,26)
InChIKeyPOSJNXOHFVSTAH-UHFFFAOYSA-N
XLogP2.25
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide with MolForge

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Related Compounds

N-[4-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 60560040
N-cyclopropyl-1-[2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxamide
CID 55903005
2-methyl-N-[4-[2-[4-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119543944
2-methyl-N-[4-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 119489393
N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide
CID 41483133
N-[4-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 120817223
2-methyl-N-[4-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 119539615
N-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228041
N-[4-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide;dihydrochloride
CID 120743933
N-[4-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 55774566
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
methyl 1-[2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 43996922

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 55790845) is N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(CC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cs1.
What is the InChIKey of N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is POSJNXOHFVSTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S2/c1-14(2)19(26)22-20-21-16(13-29-20)12-18(25)24-10-8-15(9-11-24)23-30(27,28)17-6-4-3-5-7-17/h3-7,13-15,23H,8-12H2,1-2H3,(H,21,22,26).
What are the key properties of N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 450.59 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(benzenesulfonamido)piperidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 55790845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).