2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C25H33N3O4S2 — CID 87134481

IUPAC2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C(OC1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cn1
InChIInChI=1S/C25H33N3O4S2/c29-24(28-25-27-20-12-6-7-13-22(20)33-25)23(32-17-8-2-1-3-9-17)21-15-14-19(16-26-21)34(30,31)18-10-4-5-11-18/h14-18,23H,1-13H2,(H,27,28,29)
InChIKeyYMIVOAVPBBKUAZ-UHFFFAOYSA-N
MW503.69 g/mol
LogP5.16
Rot. Bonds7

About 2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 87134481) has the molecular formula C25H33N3O4S2 and a molecular weight of 503.69 g/mol. Its IUPAC name is 2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID87134481
Molecular FormulaC25H33N3O4S2
Molecular Weight503.69 g/mol
Exact Mass503.19
IUPAC Name2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C(OC1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cn1
InChIInChI=1S/C25H33N3O4S2/c29-24(28-25-27-20-12-6-7-13-22(20)33-25)23(32-17-8-2-1-3-9-17)21-15-14-19(16-26-21)34(30,31)18-10-4-5-11-18/h14-18,23H,1-13H2,(H,27,28,29)
InChIKeyYMIVOAVPBBKUAZ-UHFFFAOYSA-N
XLogP5.16
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyclopentyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide
CID 87133948
2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 56846968
2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)acetamide
CID 56846970
2-cyclopentyloxy-2-(4-morpholin-4-ylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 87134383
2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-6,7-dihydro-5H-1,3-benzothiazole-4,4-dicarboxylic acid
CID 88861797
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
(2S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(methanesulfonamido)propanamide
CID 94155244
2-amino-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-phenylacetamide;hydrochloride
CID 119300564
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 60572157
4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentanamide
CID 112760909
methyl 4-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylsulfamoyl)benzoate
CID 95907167

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 87134481) is 2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(Nc1nc2c(s1)CCCC2)C(OC1CCCCC1)c1ccc(S(=O)(=O)C2CCCC2)cn1.
What is the InChIKey of 2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is YMIVOAVPBBKUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4S2/c29-24(28-25-27-20-12-6-7-13-22(20)33-25)23(32-17-8-2-1-3-9-17)21-15-14-19(16-26-21)34(30,31)18-10-4-5-11-18/h14-18,23H,1-13H2,(H,27,28,29).
What are the key properties of 2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 503.69 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 87134481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).