N-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide

C26H27N3O3S2 — CID 58618041

IUPACN-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)N(c1nccs1)C1CCCCC1)c(C)n2C(=O)c1cccs1
InChIInChI=1S/C26H27N3O3S2/c1-17-20(16-24(30)29(26-27-12-14-34-26)18-7-4-3-5-8-18)21-15-19(32-2)10-11-22(21)28(17)25(31)23-9-6-13-33-23/h6,9-15,18H,3-5,7-8,16H2,1-2H3
InChIKeyPELULFVRTVEGKA-UHFFFAOYSA-N
MW493.65 g/mol
LogP6.07
Rot. Bonds6

About N-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide

N-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 58618041) has the molecular formula C26H27N3O3S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID58618041
Molecular FormulaC26H27N3O3S2
Molecular Weight493.65 g/mol
Exact Mass493.15
IUPAC NameN-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc2c(c1)c(CC(=O)N(c1nccs1)C1CCCCC1)c(C)n2C(=O)c1cccs1
InChIInChI=1S/C26H27N3O3S2/c1-17-20(16-24(30)29(26-27-12-14-34-26)18-7-4-3-5-8-18)21-15-19(32-2)10-11-22(21)28(17)25(31)23-9-6-13-33-23/h6,9-15,18H,3-5,7-8,16H2,1-2H3
InChIKeyPELULFVRTVEGKA-UHFFFAOYSA-N
XLogP6.07
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 58618041) is N-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide is COc1ccc2c(c1)c(CC(=O)N(c1nccs1)C1CCCCC1)c(C)n2C(=O)c1cccs1.
What is the InChIKey of N-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is PELULFVRTVEGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S2/c1-17-20(16-24(30)29(26-27-12-14-34-26)18-7-4-3-5-8-18)21-15-19(32-2)10-11-22(21)28(17)25(31)23-9-6-13-33-23/h6,9-15,18H,3-5,7-8,16H2,1-2H3.
What are the key properties of N-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
N-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 493.65 g/mol, XLogP of 6.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 58618041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).