N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide

C20H22N2O2S — CID 146163548

IUPACN-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(Sc3ccc(C)cc3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C20H22N2O2S/c1-13-4-7-16(8-5-13)25-20-17(10-11-21-14(2)23)18-12-15(24-3)6-9-19(18)22-20/h4-9,12,22H,10-11H2,1-3H3,(H,21,23)
InChIKeyPIEUXIXPGOHTRJ-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.31
Rot. Bonds6

About N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide

N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide (PubChem CID 146163548) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide
PubChem CID146163548
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide
SMILESCOc1ccc2[nH]c(Sc3ccc(C)cc3)c(CCNC(C)=O)c2c1
InChIInChI=1S/C20H22N2O2S/c1-13-4-7-16(8-5-13)25-20-17(10-11-21-14(2)23)18-12-15(24-3)6-9-19(18)22-20/h4-9,12,22H,10-11H2,1-3H3,(H,21,23)
InChIKeyPIEUXIXPGOHTRJ-UHFFFAOYSA-N
XLogP4.31
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-acetyl-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 15382326
N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide
CID 58946267
N-[2-(5-methoxy-2-pentyl-1H-indol-3-yl)ethyl]acetamide
CID 68726769
N-[2-[2-(furan-2-yl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946209
N-[2-[2-(cyclohexanecarbonyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 15382330
N-[2-[2-(5-chloro-2-methoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946204
N-[2-[2-(3-ethoxyphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 58946255
N-[2-[2-[(4-chloro-N-methylanilino)methyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 45269183
N-[2-[2-[3-chloro-2-(iodomethyl)phenyl]-5-methoxy-1H-indol-3-yl]ethyl]acetamide
CID 89340135
N-[2-(2-fluoro-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 162686350
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-[5-methoxy-2-[[N-methyl-4-(trifluoromethyl)anilino]methyl]-1H-indol-3-yl]ethyl]acetamide
CID 45268310

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide (CID 146163548) is N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide is COc1ccc2[nH]c(Sc3ccc(C)cc3)c(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is PIEUXIXPGOHTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-13-4-7-16(8-5-13)25-20-17(10-11-21-14(2)23)18-12-15(24-3)6-9-19(18)22-20/h4-9,12,22H,10-11H2,1-3H3,(H,21,23).
What are the key properties of N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide?
N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 354.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-methoxy-2-(4-methylphenyl)sulfanyl-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 146163548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).