2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C25H29N3O3S2 — CID 154644803

IUPAC2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(O)cc(NS(=O)c2cc(-c3sc(NC(=O)CC4CCCC4)nc3C)ccc2C)c1
InChIInChI=1S/C25H29N3O3S2/c1-15-10-20(14-21(29)11-15)28-33(31)22-13-19(9-8-16(22)2)24-17(3)26-25(32-24)27-23(30)12-18-6-4-5-7-18/h8-11,13-14,18,28-29H,4-7,12H2,1-3H3,(H,26,27,30)
InChIKeyHVOMBYXOCJDQEV-UHFFFAOYSA-N
MW483.66 g/mol
LogP6.09
Rot. Bonds7

About 2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 154644803) has the molecular formula C25H29N3O3S2 and a molecular weight of 483.66 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID154644803
Molecular FormulaC25H29N3O3S2
Molecular Weight483.66 g/mol
Exact Mass483.17
IUPAC Name2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(O)cc(NS(=O)c2cc(-c3sc(NC(=O)CC4CCCC4)nc3C)ccc2C)c1
InChIInChI=1S/C25H29N3O3S2/c1-15-10-20(14-21(29)11-15)28-33(31)22-13-19(9-8-16(22)2)24-17(3)26-25(32-24)27-23(30)12-18-6-4-5-7-18/h8-11,13-14,18,28-29H,4-7,12H2,1-3H3,(H,26,27,30)
InChIKeyHVOMBYXOCJDQEV-UHFFFAOYSA-N
XLogP6.09
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 56.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 154644803) is 2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is Cc1cc(O)cc(NS(=O)c2cc(-c3sc(NC(=O)CC4CCCC4)nc3C)ccc2C)c1.
What is the InChIKey of 2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is HVOMBYXOCJDQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S2/c1-15-10-20(14-21(29)11-15)28-33(31)22-13-19(9-8-16(22)2)24-17(3)26-25(32-24)27-23(30)12-18-6-4-5-7-18/h8-11,13-14,18,28-29H,4-7,12H2,1-3H3,(H,26,27,30).
What are the key properties of 2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 483.66 g/mol, XLogP of 6.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[5-[3-(3-hydroxy-5-methylphenyl)sulfinamoyl-4-methylphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 154644803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).