N-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide

C20H21ClN2OS — CID 175416260

IUPACN-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide
SMILESCCCC(=O)N(c1ccccc1SCC)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H21ClN2OS/c1-3-7-20(24)23(17-8-5-6-9-19(17)25-4-2)18-13-22-16-12-14(21)10-11-15(16)18/h5-6,8-13,22H,3-4,7H2,1-2H3
InChIKeyWUSSDBGQKUKLDN-UHFFFAOYSA-N
MW372.92 g/mol
LogP6.40
Rot. Bonds6

About N-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide

N-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide (PubChem CID 175416260) has the molecular formula C20H21ClN2OS and a molecular weight of 372.92 g/mol. Its IUPAC name is N-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide.

Molecular Properties

Compound NameN-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide
PubChem CID175416260
Molecular FormulaC20H21ClN2OS
Molecular Weight372.92 g/mol
Exact Mass372.11
IUPAC NameN-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide
SMILESCCCC(=O)N(c1ccccc1SCC)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C20H21ClN2OS/c1-3-7-20(24)23(17-8-5-6-9-19(17)25-4-2)18-13-22-16-12-14(21)10-11-15(16)18/h5-6,8-13,22H,3-4,7H2,1-2H3
InChIKeyWUSSDBGQKUKLDN-UHFFFAOYSA-N
XLogP6.40
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.92
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-chloro-1H-indol-3-yl)-N-ethylacetamide
CID 70220108
diethyl 2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]propanedioate
CID 102161933
1-(6-chloro-1H-indol-3-yl)heptan-1-one
CID 114752147
1-(6-chloro-1H-indol-3-yl)octan-1-one
CID 43341995
N-benzyl-6-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 113206400
N-(5-chloro-1H-indol-3-yl)-N-phenylacetamide
CID 122690115
N-butan-2-yl-6-chloro-1H-indole-3-carboxamide
CID 113206344
ethyl 2-[(6-chloro-1H-indole-3-carbonyl)amino]propanoate
CID 75976916
N-benzyl-2-(6-chloro-1H-indol-3-yl)-N-ethyl-2-oxoacetamide
CID 113208765
2-(6-chloro-1H-indol-3-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596477
(5-chloro-1H-indol-3-yl)-(2-methylsulfanylphenyl)methanone
CID 79215184
2-(6-chloro-1H-indol-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 111543131

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide?
The IUPAC name of N-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide (CID 175416260) is N-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide.
What is the SMILES notation for N-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide?
The canonical SMILES for N-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide is CCCC(=O)N(c1ccccc1SCC)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of N-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide?
The InChIKey is WUSSDBGQKUKLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2OS/c1-3-7-20(24)23(17-8-5-6-9-19(17)25-4-2)18-13-22-16-12-14(21)10-11-15(16)18/h5-6,8-13,22H,3-4,7H2,1-2H3.
What are the key properties of N-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide?
N-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide has a molecular weight of 372.92 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1H-indol-3-yl)-N-(2-ethylsulfanylphenyl)butanamide is sourced from PubChem (CID 175416260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).