2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide

C25H34N2O6S2 — CID 56847030

IUPAC2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Nc1ncc(C(O)CO)s1)C(OC1CCCCC1)c1ccc(S(=O)(=O)C2CCCCC2)cc1
InChIInChI=1S/C25H34N2O6S2/c28-16-21(29)22-15-26-25(34-22)27-24(30)23(33-18-7-3-1-4-8-18)17-11-13-20(14-12-17)35(31,32)19-9-5-2-6-10-19/h11-15,18-19,21,23,28-29H,1-10,16H2,(H,26,27,30)
InChIKeyLWQRLFOHBHJVPQ-UHFFFAOYSA-N
MW522.69 g/mol
LogP4.30
Rot. Bonds9

About 2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide

2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 56847030) has the molecular formula C25H34N2O6S2 and a molecular weight of 522.69 g/mol. Its IUPAC name is 2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID56847030
Molecular FormulaC25H34N2O6S2
Molecular Weight522.69 g/mol
Exact Mass522.19
IUPAC Name2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Nc1ncc(C(O)CO)s1)C(OC1CCCCC1)c1ccc(S(=O)(=O)C2CCCCC2)cc1
InChIInChI=1S/C25H34N2O6S2/c28-16-21(29)22-15-26-25(34-22)27-24(30)23(33-18-7-3-1-4-8-18)17-11-13-20(14-12-17)35(31,32)19-9-5-2-6-10-19/h11-15,18-19,21,23,28-29H,1-10,16H2,(H,26,27,30)
InChIKeyLWQRLFOHBHJVPQ-UHFFFAOYSA-N
XLogP4.30
TPSA125.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.69
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(oxan-4-yloxy)acetamide
CID 87076050
2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide
CID 56847533
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-(4-cyclopropylsulfonylphenyl)-N-[5-[3-(hydroxymethyl)phenoxy]-1,3-thiazol-2-yl]-2-(oxan-4-yloxy)acetamide
CID 86669564
4-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-piperidin-4-yloxyacetyl]amino]-1,3-thiazol-5-yl]oxy]benzoic acid
CID 87570518
2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide
CID 87134580
N-[5-(4-cyanophenoxy)-1,3-thiazol-2-yl]-2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetamide
CID 56592624
2-[[2-[[2-(4-cyclopentylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-1,3-thiazol-5-yl]oxy]-6-methoxycarbonylbenzoic acid
CID 88861785
1-[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-1,3-thiazol-5-yl]pyrazole-4-carboxylic acid
CID 88861643
2-cyclohexyloxy-2-(5-cyclopentylsulfonyl-2-pyridinyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 87134481
2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-[1,3]thiazolo[5,4-b]pyridine-6,7-dicarboxylic acid
CID 88861778

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide (CID 56847030) is 2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide is O=C(Nc1ncc(C(O)CO)s1)C(OC1CCCCC1)c1ccc(S(=O)(=O)C2CCCCC2)cc1.
What is the InChIKey of 2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LWQRLFOHBHJVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O6S2/c28-16-21(29)22-15-26-25(34-22)27-24(30)23(33-18-7-3-1-4-8-18)17-11-13-20(14-12-17)35(31,32)19-9-5-2-6-10-19/h11-15,18-19,21,23,28-29H,1-10,16H2,(H,26,27,30).
What are the key properties of 2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide?
2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 522.69 g/mol, XLogP of 4.30, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 56847030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).