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

C25H30N4O4S2 — CID 89493981

IUPAC2-cyclopentyl-N-[5-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2sc(NC(=O)CC3CCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(C)cc1C
InChIInChI=1S/C25H30N4O4S2/c1-15-11-16(2)26-14-20(15)29-35(31,32)22-13-19(9-10-21(22)33-4)24-17(3)27-25(34-24)28-23(30)12-18-7-5-6-8-18/h9-11,13-14,18,29H,5-8,12H2,1-4H3,(H,27,28,30)
InChIKeyVFAFOMTUCQGMCN-UHFFFAOYSA-N
MW514.67 g/mol
LogP5.46
Rot. Bonds8

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

2-cyclopentyl-N-[5-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 89493981) has the molecular formula C25H30N4O4S2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID89493981
Molecular FormulaC25H30N4O4S2
Molecular Weight514.67 g/mol
Exact Mass514.17
IUPAC Name2-cyclopentyl-N-[5-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2sc(NC(=O)CC3CCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(C)cc1C
InChIInChI=1S/C25H30N4O4S2/c1-15-11-16(2)26-14-20(15)29-35(31,32)22-13-19(9-10-21(22)33-4)24-17(3)27-25(34-24)28-23(30)12-18-7-5-6-8-18/h9-11,13-14,18,29H,5-8,12H2,1-4H3,(H,27,28,30)
InChIKeyVFAFOMTUCQGMCN-UHFFFAOYSA-N
XLogP5.46
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 55.46
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-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[5-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 89493981) is 2-cyclopentyl-N-[5-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[5-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[5-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2sc(NC(=O)CC3CCCC3)nc2C)cc1S(=O)(=O)Nc1cnc(C)cc1C.
What is the InChIKey of 2-cyclopentyl-N-[5-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is VFAFOMTUCQGMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S2/c1-15-11-16(2)26-14-20(15)29-35(31,32)22-13-19(9-10-21(22)33-4)24-17(3)27-25(34-24)28-23(30)12-18-7-5-6-8-18/h9-11,13-14,18,29H,5-8,12H2,1-4H3,(H,27,28,30).
What are the key properties of 2-cyclopentyl-N-[5-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
2-cyclopentyl-N-[5-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 514.67 g/mol, XLogP of 5.46, 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-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 89493981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).