N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

C24H31N3OS — CID 90490816

IUPACN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCC(c2cn(C)c3ccccc23)N(C)C)cc1
InChIInChI=1S/C24H31N3OS/c1-17(2)29-19-12-10-18(11-13-19)14-24(28)25-15-23(26(3)4)21-16-27(5)22-9-7-6-8-20(21)22/h6-13,16-17,23H,14-15H2,1-5H3,(H,25,28)
InChIKeyPZFLYVOVOLUCPD-UHFFFAOYSA-N
MW409.60 g/mol
LogP4.64
Rot. Bonds8

About N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (PubChem CID 90490816) has the molecular formula C24H31N3OS and a molecular weight of 409.60 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
PubChem CID90490816
Molecular FormulaC24H31N3OS
Molecular Weight409.60 g/mol
Exact Mass409.22
IUPAC NameN-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)NCC(c2cn(C)c3ccccc23)N(C)C)cc1
InChIInChI=1S/C24H31N3OS/c1-17(2)29-19-12-10-18(11-13-19)14-24(28)25-15-23(26(3)4)21-16-27(5)22-9-7-6-8-20(21)22/h6-13,16-17,23H,14-15H2,1-5H3,(H,25,28)
InChIKeyPZFLYVOVOLUCPD-UHFFFAOYSA-N
XLogP4.64
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 90490734
1-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-ethylurea
CID 95982226
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-fluorobenzamide
CID 90490697
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-oxochromene-2-carboxamide
CID 71780311
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2,4,6-trimethylbenzamide
CID 90490718
N-[2-(dimethylamino)ethyl]-N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]oxamide
CID 90491021
N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 110771379
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
CID 90490695
3,4-dichloro-N-[(2S)-2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]benzamide
CID 30945806
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-nitrobenzamide
CID 90490726
N'-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 71780355

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide (CID 90490816) is N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is CC(C)Sc1ccc(CC(=O)NCC(c2cn(C)c3ccccc23)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
The InChIKey is PZFLYVOVOLUCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3OS/c1-17(2)29-19-12-10-18(11-13-19)14-24(28)25-15-23(26(3)4)21-16-27(5)22-9-7-6-8-20(21)22/h6-13,16-17,23H,14-15H2,1-5H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide?
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide has a molecular weight of 409.60 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide is sourced from PubChem (CID 90490816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).