N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide

C16H22N2O3S — CID 121239064

IUPACN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide
SMILESCOc1cccc2c1ccn2CC(=O)NC(CO)CCSC
InChIInChI=1S/C16H22N2O3S/c1-21-15-5-3-4-14-13(15)6-8-18(14)10-16(20)17-12(11-19)7-9-22-2/h3-6,8,12,19H,7,9-11H2,1-2H3,(H,17,20)
InChIKeyFICYICKTVKSASP-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.88
Rot. Bonds8

About N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide

N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide (PubChem CID 121239064) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide
PubChem CID121239064
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide
SMILESCOc1cccc2c1ccn2CC(=O)NC(CO)CCSC
InChIInChI=1S/C16H22N2O3S/c1-21-15-5-3-4-14-13(15)6-8-18(14)10-16(20)17-12(11-19)7-9-22-2/h3-6,8,12,19H,7,9-11H2,1-2H3,(H,17,20)
InChIKeyFICYICKTVKSASP-UHFFFAOYSA-N
XLogP1.88
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-(4-methoxyindol-1-yl)propanamide
CID 124846597
2-(4-methoxyindol-1-yl)-N-pentan-2-ylacetamide
CID 83174347
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-methoxy-6-methylbenzamide
CID 131917983
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide
CID 110204689
ethyl 2-(4-methoxyindol-1-yl)acetate
CID 83162389
2-(4-methoxyindol-1-yl)-N-(3-methoxypropyl)acetamide
CID 83173338
2-(4-methoxyindol-1-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
CID 91639450
N-(1H-indol-6-yl)-2-(4-methoxyindol-1-yl)acetamide
CID 52905291
methyl 3-(4-methoxyindol-1-yl)propanoate
CID 83162468
N-(2-methoxyethyl)-2-(4-propan-2-yloxyindol-1-yl)acetamide
CID 83165472
2-(4-methylindol-1-yl)-N-pentan-3-ylacetamide
CID 116620187
2-[(2-indol-1-ylacetyl)amino]-4-methylsulfanylbutanoic acid
CID 56920071

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide?
The IUPAC name of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide (CID 121239064) is N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide.
What is the SMILES notation for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide?
The canonical SMILES for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide is COc1cccc2c1ccn2CC(=O)NC(CO)CCSC.
What is the InChIKey of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide?
The InChIKey is FICYICKTVKSASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-21-15-5-3-4-14-13(15)6-8-18(14)10-16(20)17-12(11-19)7-9-22-2/h3-6,8,12,19H,7,9-11H2,1-2H3,(H,17,20).
What are the key properties of N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide?
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide has a molecular weight of 322.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(4-methoxyindol-1-yl)acetamide is sourced from PubChem (CID 121239064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).