2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide

C23H23N3O3S2 — CID 166331490

IUPAC2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide
SMILESCn1c2ccccc2c2cc(S(=O)(=O)NC(=O)Cc3csc(C4CCCC4)n3)ccc21
InChIInChI=1S/C23H23N3O3S2/c1-26-20-9-5-4-8-18(20)19-13-17(10-11-21(19)26)31(28,29)25-22(27)12-16-14-30-23(24-16)15-6-2-3-7-15/h4-5,8-11,13-15H,2-3,6-7,12H2,1H3,(H,25,27)
InChIKeyGUZFNHHCODFYQN-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.49
Rot. Bonds5

About 2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide

2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide (PubChem CID 166331490) has the molecular formula C23H23N3O3S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide.

Molecular Properties

Compound Name2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide
PubChem CID166331490
Molecular FormulaC23H23N3O3S2
Molecular Weight453.59 g/mol
Exact Mass453.12
IUPAC Name2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide
SMILESCn1c2ccccc2c2cc(S(=O)(=O)NC(=O)Cc3csc(C4CCCC4)n3)ccc21
InChIInChI=1S/C23H23N3O3S2/c1-26-20-9-5-4-8-18(20)19-13-17(10-11-21(19)26)31(28,29)25-22(27)12-16-14-30-23(24-16)15-6-2-3-7-15/h4-5,8-11,13-15H,2-3,6-7,12H2,1H3,(H,25,27)
InChIKeyGUZFNHHCODFYQN-UHFFFAOYSA-N
XLogP4.49
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide?
The IUPAC name of 2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide (CID 166331490) is 2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide.
What is the SMILES notation for 2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide?
The canonical SMILES for 2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide is Cn1c2ccccc2c2cc(S(=O)(=O)NC(=O)Cc3csc(C4CCCC4)n3)ccc21.
What is the InChIKey of 2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide?
The InChIKey is GUZFNHHCODFYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S2/c1-26-20-9-5-4-8-18(20)19-13-17(10-11-21(19)26)31(28,29)25-22(27)12-16-14-30-23(24-16)15-6-2-3-7-15/h4-5,8-11,13-15H,2-3,6-7,12H2,1H3,(H,25,27).
What are the key properties of 2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide?
2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide has a molecular weight of 453.59 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-1,3-thiazol-4-yl)-N-(9-methylcarbazol-3-yl)sulfonylacetamide is sourced from PubChem (CID 166331490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).