2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide

C23H29N3O5S2 — CID 56847533

IUPAC2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1ncc(N2CCOCC2)s1)C(OC1CCCC1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C23H29N3O5S2/c27-22(25-23-24-15-20(32-23)26-11-13-30-14-12-26)21(31-17-3-1-2-4-17)16-5-7-18(8-6-16)33(28,29)19-9-10-19/h5-8,15,17,19,21H,1-4,9-14H2,(H,24,25,27)
InChIKeySJSFBBXIVQLYFF-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.55
Rot. Bonds8

About 2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide

2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 56847533) has the molecular formula C23H29N3O5S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide
PubChem CID56847533
Molecular FormulaC23H29N3O5S2
Molecular Weight491.64 g/mol
Exact Mass491.15
IUPAC Name2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1ncc(N2CCOCC2)s1)C(OC1CCCC1)c1ccc(S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C23H29N3O5S2/c27-22(25-23-24-15-20(32-23)26-11-13-30-14-12-26)21(31-17-3-1-2-4-17)16-5-7-18(8-6-16)33(28,29)19-9-10-19/h5-8,15,17,19,21H,1-4,9-14H2,(H,24,25,27)
InChIKeySJSFBBXIVQLYFF-UHFFFAOYSA-N
XLogP3.55
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-1,3-thiazol-5-yl]pyrazole-4-carboxylic acid
CID 88861643
2-(2,4-difluorophenoxy)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)-2-(4-piperidin-4-ylsulfonylphenyl)acetamide
CID 87572242
2-cyclohexyloxy-2-(4-cyclohexylsulfonylphenyl)-N-[5-(1,2-dihydroxyethyl)-1,3-thiazol-2-yl]acetamide
CID 56847030
N-[5-(4-cyanophenoxy)-1,3-thiazol-2-yl]-2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetamide
CID 56592624
2-(4-cyclopropylsulfonylphenyl)-N-[5-[4-(1,2-dihydroxyethyl)phenoxy]-1,3-thiazol-2-yl]-2-(oxan-4-yloxy)acetamide
CID 87076050
2-[[2-[[2-(4-cyclopentylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-1,3-thiazol-5-yl]oxy]-6-methoxycarbonylbenzoic acid
CID 88861785
2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-[1,3]thiazolo[5,4-b]pyridine-6,7-dicarboxylic acid
CID 88861778
2-(4-cyclopropylsulfonylphenyl)-N-[5-[3-(hydroxymethyl)phenoxy]-1,3-thiazol-2-yl]-2-(oxan-4-yloxy)acetamide
CID 86669564
2-[4-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-1,3-thiazol-5-yl]oxy]phenyl]-2-methylpropanoic acid
CID 88861637
3-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetyl]amino]-1,3-thiazol-5-yl]oxy]-2-ethylbenzoic acid
CID 88861703
2-cyclopentyloxy-2-(4-cyclopentylsulfonylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 56846968
4-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-piperidin-4-yloxyacetyl]amino]-1,3-thiazol-5-yl]oxy]benzoic acid
CID 87570518

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide (CID 56847533) is 2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide is O=C(Nc1ncc(N2CCOCC2)s1)C(OC1CCCC1)c1ccc(S(=O)(=O)C2CC2)cc1.
What is the InChIKey of 2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is SJSFBBXIVQLYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5S2/c27-22(25-23-24-15-20(32-23)26-11-13-30-14-12-26)21(31-17-3-1-2-4-17)16-5-7-18(8-6-16)33(28,29)19-9-10-19/h5-8,15,17,19,21H,1-4,9-14H2,(H,24,25,27).
What are the key properties of 2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide?
2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 491.64 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-2-(4-cyclopropylsulfonylphenyl)-N-(5-morpholin-4-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 56847533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).