2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide

C29H32N4O5S — CID 58618075

IUPAC2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1cccc(C(=O)n2c(C)c(CC(=O)N(CCN3CCOCC3)c3nccs3)c3cc(OC)ccc32)c1
InChIInChI=1S/C29H32N4O5S/c1-20-24(19-27(34)32(29-30-9-16-39-29)11-10-31-12-14-38-15-13-31)25-18-23(37-3)7-8-26(25)33(20)28(35)21-5-4-6-22(17-21)36-2/h4-9,16-18H,10-15,19H2,1-3H3
InChIKeyHUXRLPQGVAHGNM-UHFFFAOYSA-N
MW548.67 g/mol
LogP4.02
Rot. Bonds9

About 2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide

2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 58618075) has the molecular formula C29H32N4O5S and a molecular weight of 548.67 g/mol. Its IUPAC name is 2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID58618075
Molecular FormulaC29H32N4O5S
Molecular Weight548.67 g/mol
Exact Mass548.21
IUPAC Name2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCOc1cccc(C(=O)n2c(C)c(CC(=O)N(CCN3CCOCC3)c3nccs3)c3cc(OC)ccc32)c1
InChIInChI=1S/C29H32N4O5S/c1-20-24(19-27(34)32(29-30-9-16-39-29)11-10-31-12-14-38-15-13-31)25-18-23(37-3)7-8-26(25)33(20)28(35)21-5-4-6-22(17-21)36-2/h4-9,16-18H,10-15,19H2,1-3H3
InChIKeyHUXRLPQGVAHGNM-UHFFFAOYSA-N
XLogP4.02
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.67
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-(cyclopropylmethyl)-2-[5-methoxy-2-methyl-1-(pyridine-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 58618099
N-cyclohexyl-2-[5-methoxy-2-methyl-1-(thiophene-2-carbonyl)indol-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 58618041
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 29137986
(2,3-dichlorophenyl)-[5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]methanone;hydrochloride
CID 24849093
3-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42837369
3-butoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 25319384
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997222
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44903419
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997233
2-[1-(3-chlorobenzoyl)-5-(hydroxymethyl)-2-methylindol-3-yl]-N-cyclohexyl-N-(1,3-thiazol-2-yl)acetamide
CID 71081698
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 7622625
N-(4-chlorophenyl)-2-[5-methoxy-2-methyl-1-(3-morpholin-4-ylpropanoyl)indol-3-yl]acetamide
CID 70697444

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide (CID 58618075) is 2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide is COc1cccc(C(=O)n2c(C)c(CC(=O)N(CCN3CCOCC3)c3nccs3)c3cc(OC)ccc32)c1.
What is the InChIKey of 2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HUXRLPQGVAHGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O5S/c1-20-24(19-27(34)32(29-30-9-16-39-29)11-10-31-12-14-38-15-13-31)25-18-23(37-3)7-8-26(25)33(20)28(35)21-5-4-6-22(17-21)36-2/h4-9,16-18H,10-15,19H2,1-3H3.
What are the key properties of 2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide?
2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 548.67 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-1-(3-methoxybenzoyl)-2-methylindol-3-yl]-N-(2-morpholin-4-ylethyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 58618075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).