2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide

C32H39N3O6S2 — CID 87134580

IUPAC2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide
SMILESO=C(Nc1ncc(Oc2ccc(C(O)CO)cc2)s1)C(NC1CCC2(CCCCC2)C1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C32H39N3O6S2/c36-20-27(37)21-4-8-24(9-5-21)41-28-19-33-31(42-28)35-30(38)29(34-23-14-17-32(18-23)15-2-1-3-16-32)22-6-10-25(11-7-22)43(39,40)26-12-13-26/h4-11,19,23,26-27,29,34,36-37H,1-3,12-18,20H2,(H,33,35,38)
InChIKeyZAZYGESSOZHYCV-UHFFFAOYSA-N
MW625.81 g/mol
LogP5.67
Rot. Bonds11

About 2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide

2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide (PubChem CID 87134580) has the molecular formula C32H39N3O6S2 and a molecular weight of 625.81 g/mol. Its IUPAC name is 2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide
PubChem CID87134580
Molecular FormulaC32H39N3O6S2
Molecular Weight625.81 g/mol
Exact Mass625.23
IUPAC Name2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide
SMILESO=C(Nc1ncc(Oc2ccc(C(O)CO)cc2)s1)C(NC1CCC2(CCCCC2)C1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C32H39N3O6S2/c36-20-27(37)21-4-8-24(9-5-21)41-28-19-33-31(42-28)35-30(38)29(34-23-14-17-32(18-23)15-2-1-3-16-32)22-6-10-25(11-7-22)43(39,40)26-12-13-26/h4-11,19,23,26-27,29,34,36-37H,1-3,12-18,20H2,(H,33,35,38)
InChIKeyZAZYGESSOZHYCV-UHFFFAOYSA-N
XLogP5.67
TPSA137.85 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.81
LogP ≤ 55.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 56847030
4-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-piperidin-4-yloxyacetyl]amino]-1,3-thiazol-5-yl]oxy]benzoic acid
CID 87570518
4-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(4-fluorophenoxy)acetyl]amino]-1,3-thiazol-5-yl]oxy]benzoic acid
CID 87075836
N-[5-(4-cyanophenoxy)-1,3-thiazol-2-yl]-2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetamide
CID 56592624
2-(4-cyclopropylsulfonylphenyl)-N-[5-[3-(hydroxymethyl)phenoxy]-1,3-thiazol-2-yl]-2-(oxan-4-yloxy)acetamide
CID 86669564
4-[[2-[[2-(3-chloro-4-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)acetyl]amino]-1,3-thiazol-5-yl]oxy]benzoic acid
CID 87075837
2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)-N-[5-[4-(2H-tetrazol-5-yl)phenoxy]-1,3-thiazol-2-yl]acetamide
CID 59610062
2-[4-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-1,3-thiazol-5-yl]oxy]phenyl]-2-methylpropanoic acid
CID 88861637
methyl 4-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(3-fluorophenoxy)acetyl]amino]-1,3-thiazol-5-yl]oxy]benzoate
CID 87075967
2-[4-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-1,3-thiazol-5-yl]oxy]phenyl]-2-methylbutanedioic acid
CID 88861824
(2R)-N-[5-(3-acetylphenoxy)-1,3-thiazol-2-yl]-2-(4-cyclopropylsulfonylphenyl)-3-(oxan-4-yl)propanamide
CID 88972975

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide?
The IUPAC name of 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) is 2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide.
What is the SMILES notation for 2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide?
The canonical SMILES for 2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide is O=C(Nc1ncc(Oc2ccc(C(O)CO)cc2)s1)C(NC1CCC2(CCCCC2)C1)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide?
The InChIKey is ZAZYGESSOZHYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O6S2/c36-20-27(37)21-4-8-24(9-5-21)41-28-19-33-31(42-28)35-30(38)29(34-23-14-17-32(18-23)15-2-1-3-16-32)22-6-10-25(11-7-22)43(39,40)26-12-13-26/h4-11,19,23,26-27,29,34,36-37H,1-3,12-18,20H2,(H,33,35,38).
What are the key properties of 2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide?
2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide has a molecular weight of 625.81 g/mol, XLogP of 5.67, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(spiro[4.5]decan-3-ylamino)acetamide is sourced from PubChem (CID 87134580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).