N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

C20H20N4OS — CID 17417102

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)NCCc2c[nH]c3ccccc23)nc2ccccc21
InChIInChI=1S/C20H20N4OS/c1-24-18-9-5-4-8-17(18)23-20(24)26-13-19(25)21-11-10-14-12-22-16-7-3-2-6-15(14)16/h2-9,12,22H,10-11,13H2,1H3,(H,21,25)
InChIKeyDTEWHAATDWFVCF-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.51
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 17417102) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID17417102
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)NCCc2c[nH]c3ccccc23)nc2ccccc21
InChIInChI=1S/C20H20N4OS/c1-24-18-9-5-4-8-17(18)23-20(24)26-13-19(25)21-11-10-14-12-22-16-7-3-2-6-15(14)16/h2-9,12,22H,10-11,13H2,1H3,(H,21,25)
InChIKeyDTEWHAATDWFVCF-UHFFFAOYSA-N
XLogP3.51
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-3-oxoquinoxalin-2-yl)propanamide
CID 71692027
2-(3-ethylquinolin-2-yl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4125256
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-methyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 50780899
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 9343330
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 9122960
N-methyl-3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]propanamide
CID 166196952
3-(1H-indol-3-yl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 26443966
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 27956433
N-[2-(1H-indol-3-yl)ethyl]-6-pyrrol-1-ylhexanamide
CID 127253981
2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 27956964
N-[2-(1H-indol-3-yl)ethyl]-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 17435052
N-(3-ethoxypropyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 17405689

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 17417102) is N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is Cn1c(SCC(=O)NCCc2c[nH]c3ccccc23)nc2ccccc21.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is DTEWHAATDWFVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-24-18-9-5-4-8-17(18)23-20(24)26-13-19(25)21-11-10-14-12-22-16-7-3-2-6-15(14)16/h2-9,12,22H,10-11,13H2,1H3,(H,21,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 364.47 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 17417102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).