2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C25H32N2O4S2 — CID 56846968

IUPAC2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C(OC1CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C25H32N2O4S2/c28-24(27-25-26-21-11-5-6-12-22(21)32-25)23(31-18-7-1-2-8-18)17-13-15-20(16-14-17)33(29,30)19-9-3-4-10-19/h13-16,18-19,23H,1-12H2,(H,26,27,28)
InChIKeyGCKMYNLYVPXLIN-UHFFFAOYSA-N
MW488.68 g/mol
LogP5.38
Rot. Bonds7

About 2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 56846968) has the molecular formula C25H32N2O4S2 and a molecular weight of 488.68 g/mol. Its IUPAC name is 2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID56846968
Molecular FormulaC25H32N2O4S2
Molecular Weight488.68 g/mol
Exact Mass488.18
IUPAC Name2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(Nc1nc2c(s1)CCCC2)C(OC1CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C25H32N2O4S2/c28-24(27-25-26-21-11-5-6-12-22(21)32-25)23(31-18-7-1-2-8-18)17-13-15-20(16-14-17)33(29,30)19-9-3-4-10-19/h13-16,18-19,23H,1-12H2,(H,26,27,28)
InChIKeyGCKMYNLYVPXLIN-UHFFFAOYSA-N
XLogP5.38
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 87134481
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
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-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 56847030
2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-[1,3]thiazolo[5,4-b]pyridine-6,7-dicarboxylic acid
CID 88861778
(2R)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-phenoxy-2-phenylacetamide
CID 97311644
2-[5-chloro-2-[[2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-3-yloxyacetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 87571510
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 847062
2-[[2-[[2-(4-cyclopentylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-1,3-thiazol-5-yl]oxy]-6-methoxycarbonylbenzoic acid
CID 88861785
2-(4-cyclopropylsulfonylphenyl)-N-[5-[3-(hydroxymethyl)phenoxy]-1,3-thiazol-2-yl]-2-(oxan-4-yloxy)acetamide
CID 86669564

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 56846968) is 2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is O=C(Nc1nc2c(s1)CCCC2)C(OC1CCCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of 2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is GCKMYNLYVPXLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4S2/c28-24(27-25-26-21-11-5-6-12-22(21)32-25)23(31-18-7-1-2-8-18)17-13-15-20(16-14-17)33(29,30)19-9-3-4-10-19/h13-16,18-19,23H,1-12H2,(H,26,27,28).
What are the key properties of 2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 488.68 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 56846968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).