N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide

C24H27N3O3S — CID 20902511

IUPACN-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c(C)c1
InChIInChI=1S/C24H27N3O3S/c1-17-7-8-20(18(2)13-17)25-23(28)16-31-22-14-27(21-6-4-3-5-19(21)22)15-24(29)26-9-11-30-12-10-26/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,25,28)
InChIKeyRTNJGMPZKHQNRB-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.85
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide

N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide (PubChem CID 20902511) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
PubChem CID20902511
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c(C)c1
InChIInChI=1S/C24H27N3O3S/c1-17-7-8-20(18(2)13-17)25-23(28)16-31-22-14-27(21-6-4-3-5-19(21)22)15-24(29)26-9-11-30-12-10-26/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,25,28)
InChIKeyRTNJGMPZKHQNRB-UHFFFAOYSA-N
XLogP3.85
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902519
N-(2-methylphenyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902452
N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902534
N-(2,4-dimethylphenyl)-2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 3624347
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 20902541
N-methyl-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902440
N-(2-fluorophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902403
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanylacetamide
CID 20902416
2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfanyl-N-phenylacetamide
CID 6624315
N-(2,4-dimethylphenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
CID 46378680
N-[2-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-fluorobenzamide
CID 4557497
N-(2-methoxy-5-methylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 16801367

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide (CID 20902511) is N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCOCC3)c3ccccc23)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
The InChIKey is RTNJGMPZKHQNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-17-7-8-20(18(2)13-17)25-23(28)16-31-22-14-27(21-6-4-3-5-19(21)22)15-24(29)26-9-11-30-12-10-26/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,25,28).
What are the key properties of N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide?
N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide has a molecular weight of 437.57 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide is sourced from PubChem (CID 20902511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).