2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide

C20H22N2O3S — CID 30558630

IUPAC2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H22N2O3S/c1-2-12-21-20(23)14-22-13-19(17-10-6-7-11-18(17)22)26(24,25)15-16-8-4-3-5-9-16/h3-11,13H,2,12,14-15H2,1H3,(H,21,23)
InChIKeyHODBOWIORRAHQY-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.14
Rot. Bonds7

About 2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide

2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide (PubChem CID 30558630) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
PubChem CID30558630
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H22N2O3S/c1-2-12-21-20(23)14-22-13-19(17-10-6-7-11-18(17)22)26(24,25)15-16-8-4-3-5-9-16/h3-11,13H,2,12,14-15H2,1H3,(H,21,23)
InChIKeyHODBOWIORRAHQY-UHFFFAOYSA-N
XLogP3.14
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-benzylsulfonylindol-1-yl)-N-(3-ethoxypropyl)acetamide
CID 30558655
N-butyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559422
2-(3-benzylsulfonylindol-1-yl)-N-(cyclohexylmethyl)acetamide
CID 54589378
2-(3-benzylsulfonylindol-1-yl)-N-pyridin-4-ylacetamide
CID 30558852
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 30560697
2-(3-acetylindol-1-yl)-N-propylacetamide
CID 117098452
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 30560175
N-[2-(2-methoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559531
2-[3-[2-oxo-2-(propylamino)ethyl]sulfonylindol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 18563709
2-(3-benzylsulfonylindol-1-yl)-N-butyl-N-ethylacetamide
CID 30558551
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 18573430
N-[(2-chlorophenyl)methyl]-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 20911124

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide?
The IUPAC name of 2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide (CID 30558630) is 2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide is CCCNC(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide?
The InChIKey is HODBOWIORRAHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-2-12-21-20(23)14-22-13-19(17-10-6-7-11-18(17)22)26(24,25)15-16-8-4-3-5-9-16/h3-11,13H,2,12,14-15H2,1H3,(H,21,23).
What are the key properties of 2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide?
2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide has a molecular weight of 370.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylsulfonylindol-1-yl)-N-propylacetamide is sourced from PubChem (CID 30558630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).