N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide

C20H22N2OS — CID 5163816

IUPACN-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
SMILESCCCn1cc(SCC(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C20H22N2OS/c1-2-12-22-14-19(17-10-6-7-11-18(17)22)24-15-20(23)21-13-16-8-4-3-5-9-16/h3-11,14H,2,12-13,15H2,1H3,(H,21,23)
InChIKeyFFINMTPSZARUJV-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.46
Rot. Bonds7

About N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide

N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide (PubChem CID 5163816) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
PubChem CID5163816
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
SMILESCCCn1cc(SCC(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C20H22N2OS/c1-2-12-22-14-19(17-10-6-7-11-18(17)22)24-15-20(23)21-13-16-8-4-3-5-9-16/h3-11,14H,2,12-13,15H2,1H3,(H,21,23)
InChIKeyFFINMTPSZARUJV-UHFFFAOYSA-N
XLogP4.46
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[2-(benzylamino)-2-oxoethyl]sulfanylindol-1-yl]-N,N-diethylacetamide
CID 20902366
2-(1-ethylindol-3-yl)sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 4649358
2-(1-propylindol-3-yl)sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 4185632
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-ethylindol-3-yl)sulfanylacetamide
CID 5070966
2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4294472
ethyl 2-[[2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]sulfanylacetyl]amino]acetate
CID 20902365
methyl 2-(1-propylindol-3-yl)sulfanylbutanoate
CID 43949380
N-[2-[3-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4161093
N-[2-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4096729

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide (CID 5163816) is N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide is CCCn1cc(SCC(=O)NCc2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide?
The InChIKey is FFINMTPSZARUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-2-12-22-14-19(17-10-6-7-11-18(17)22)24-15-20(23)21-13-16-8-4-3-5-9-16/h3-11,14H,2,12-13,15H2,1H3,(H,21,23).
What are the key properties of N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide?
N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide has a molecular weight of 338.48 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide is sourced from PubChem (CID 5163816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).