3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide

C15H20N2O3S — CID 71990600

IUPAC3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide
SMILESCCCn1ccc2ccc(NC(=O)CCS(C)(=O)=O)cc21
InChIInChI=1S/C15H20N2O3S/c1-3-8-17-9-6-12-4-5-13(11-14(12)17)16-15(18)7-10-21(2,19)20/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,16,18)
InChIKeyTVNJMJVQDUNBND-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.42
Rot. Bonds6

About 3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide

3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide (PubChem CID 71990600) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide
PubChem CID71990600
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide
SMILESCCCn1ccc2ccc(NC(=O)CCS(C)(=O)=O)cc21
InChIInChI=1S/C15H20N2O3S/c1-3-8-17-9-6-12-4-5-13(11-14(12)17)16-15(18)7-10-21(2,19)20/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,16,18)
InChIKeyTVNJMJVQDUNBND-UHFFFAOYSA-N
XLogP2.42
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methylsulfonyl-N-(1-propylindol-6-yl)butanamide
CID 119957554
2-amino-2-methyl-N-(1-propylindol-6-yl)propanamide
CID 119331183
4-amino-3-methoxy-N-(1-propylindol-6-yl)butanamide
CID 120592934
(3S)-3-methylsulfonyl-N-(1-propylindol-6-yl)pyrrolidine-1-carboxamide
CID 125141718
2-methyl-3-(methylamino)-N-(1-propylindol-6-yl)propanamide;hydrochloride
CID 119797080
4-amino-N-(1-propylindol-5-yl)butanamide;dihydrochloride
CID 119865627
2-amino-N-(1-propylindol-6-yl)pentanamide;hydrochloride
CID 119331199
2-methylsulfanyl-N-(1-propylindol-5-yl)acetamide
CID 49498410
2-(3-cyano-1,2,4-triazol-1-yl)-N-(1-propylindol-6-yl)acetamide
CID 167828048
2-(4-methyl-1,4-diazepan-1-yl)-2-oxo-N-(1-propylindol-6-yl)acetamide
CID 99715807
1-(4-hydroxy-2-methylbutyl)-3-(1-propylindol-6-yl)urea
CID 111474973
3-amino-N-(1-propylindol-6-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119797067

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide?
The IUPAC name of 3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide (CID 71990600) is 3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide?
The canonical SMILES for 3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide is CCCn1ccc2ccc(NC(=O)CCS(C)(=O)=O)cc21.
What is the InChIKey of 3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide?
The InChIKey is TVNJMJVQDUNBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-3-8-17-9-6-12-4-5-13(11-14(12)17)16-15(18)7-10-21(2,19)20/h4-6,9,11H,3,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide?
3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide has a molecular weight of 308.40 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(1-propylindol-6-yl)propanamide is sourced from PubChem (CID 71990600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).