2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C24H28N4O4S2 — CID 89493966

IUPAC2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2sc(NC(=O)CC3CCCC3)nc2C)cc1S(=O)(=O)Nc1ccc(C)nc1
InChIInChI=1S/C24H28N4O4S2/c1-15-8-10-19(14-25-15)28-34(30,31)21-13-18(9-11-20(21)32-3)23-16(2)26-24(33-23)27-22(29)12-17-6-4-5-7-17/h8-11,13-14,17,28H,4-7,12H2,1-3H3,(H,26,27,29)
InChIKeyDFHYLWPDGVJXCP-UHFFFAOYSA-N
MW500.65 g/mol
LogP5.15
Rot. Bonds8

About 2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 89493966) has the molecular formula C24H28N4O4S2 and a molecular weight of 500.65 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID89493966
Molecular FormulaC24H28N4O4S2
Molecular Weight500.65 g/mol
Exact Mass500.16
IUPAC Name2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2sc(NC(=O)CC3CCCC3)nc2C)cc1S(=O)(=O)Nc1ccc(C)nc1
InChIInChI=1S/C24H28N4O4S2/c1-15-8-10-19(14-25-15)28-34(30,31)21-13-18(9-11-20(21)32-3)23-16(2)26-24(33-23)27-22(29)12-17-6-4-5-7-17/h8-11,13-14,17,28H,4-7,12H2,1-3H3,(H,26,27,29)
InChIKeyDFHYLWPDGVJXCP-UHFFFAOYSA-N
XLogP5.15
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.65
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 89493966) is 2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2sc(NC(=O)CC3CCCC3)nc2C)cc1S(=O)(=O)Nc1ccc(C)nc1.
What is the InChIKey of 2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is DFHYLWPDGVJXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S2/c1-15-8-10-19(14-25-15)28-34(30,31)21-13-18(9-11-20(21)32-3)23-16(2)26-24(33-23)27-22(29)12-17-6-4-5-7-17/h8-11,13-14,17,28H,4-7,12H2,1-3H3,(H,26,27,29).
What are the key properties of 2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 500.65 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[5-[4-methoxy-3-[(6-methyl-3-pyridinyl)sulfamoyl]phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 89493966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).