N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide

C20H28N2O4S — CID 122497729

IUPACN-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCCOc1nc2ccc(OC3CCC(OC[C@H](C)NC(C)=O)CC3)cc2s1
InChIInChI=1S/C20H28N2O4S/c1-4-24-20-22-18-10-9-17(11-19(18)27-20)26-16-7-5-15(6-8-16)25-12-13(2)21-14(3)23/h9-11,13,15-16H,4-8,12H2,1-3H3,(H,21,23)/t13-,15?,16?/m0/s1
InChIKeyKCWSWVOSPVIGJR-JEYLPNPQSA-N
MW392.52 g/mol
LogP3.93
Rot. Bonds8

About N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide

N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide (PubChem CID 122497729) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
PubChem CID122497729
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC NameN-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
SMILESCCOc1nc2ccc(OC3CCC(OC[C@H](C)NC(C)=O)CC3)cc2s1
InChIInChI=1S/C20H28N2O4S/c1-4-24-20-22-18-10-9-17(11-19(18)27-20)26-16-7-5-15(6-8-16)25-12-13(2)21-14(3)23/h9-11,13,15-16H,4-8,12H2,1-3H3,(H,21,23)/t13-,15?,16?/m0/s1
InChIKeyKCWSWVOSPVIGJR-JEYLPNPQSA-N
XLogP3.93
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2S)-1-[4-[(2-cyclopropyloxy-[1,3]thiazolo[4,5-c]pyridin-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497724
N-[(2S)-1-[4-[(5-bromo-1,3-benzothiazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122498091
N-[(2S)-1-[4-[(6-ethoxy-1H-benzimidazol-2-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497833
N-[(2S)-1-[4-[(2-ethoxy-7-methyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497848
N-[(2S)-1-[4-[[2-[(3R)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497682
N-[(2S)-1-[4-(1-methyl-5-propan-2-yloxybenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
CID 122497786
(4R)-5-[4-[(6-bromo-1,3-benzothiazol-2-yl)oxy]cyclohexyl]oxy-4-methylpentan-2-one
CID 158902004
N-[(2S)-1-[4-[[7-fluoro-2-(oxetan-3-yloxy)-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122497541
N-[(2S)-1-[1-[6-(cyclobutylmethoxy)-1,3-benzoxazol-2-yl]piperidin-4-yl]oxypropan-2-yl]acetamide
CID 58483998
N-[(2S)-1-[4-[[7-fluoro-2-[(3S)-oxolan-3-yl]oxy-[1,3]thiazolo[4,5-c]pyridin-6-yl]oxy]cyclohexyl]oxypropan-2-yl]acetamide
CID 122552183
N-[(2S)-1-[4-(6-ethoxy-5,7-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
CID 122497819
N-[(2S)-1-[4-(5,6-difluoro-1-methylbenzimidazol-2-yl)oxycyclohexyl]oxypropan-2-yl]acetamide
CID 134357670

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide (CID 122497729) is N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide is CCOc1nc2ccc(OC3CCC(OC[C@H](C)NC(C)=O)CC3)cc2s1.
What is the InChIKey of N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide?
The InChIKey is KCWSWVOSPVIGJR-JEYLPNPQSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-4-24-20-22-18-10-9-17(11-19(18)27-20)26-16-7-5-15(6-8-16)25-12-13(2)21-14(3)23/h9-11,13,15-16H,4-8,12H2,1-3H3,(H,21,23)/t13-,15?,16?/m0/s1.
What are the key properties of N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide has a molecular weight of 392.52 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-[(2-ethoxy-1,3-benzothiazol-6-yl)oxy]cyclohexyl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).