N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide

C20H24N2O2S — CID 11428257

IUPACN-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide
SMILESCCN(CC(C)c1c[nH]c2ccccc12)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O2S/c1-4-22(25(23,24)17-11-9-15(2)10-12-17)14-16(3)19-13-21-20-8-6-5-7-18(19)20/h5-13,16,21H,4,14H2,1-3H3
InChIKeyYSUJBHGZPRLNTD-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.29
Rot. Bonds6

About N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide

N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide (PubChem CID 11428257) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide
PubChem CID11428257
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide
SMILESCCN(CC(C)c1c[nH]c2ccccc12)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O2S/c1-4-22(25(23,24)17-11-9-15(2)10-12-17)14-16(3)19-13-21-20-8-6-5-7-18(19)20/h5-13,16,21H,4,14H2,1-3H3
InChIKeyYSUJBHGZPRLNTD-UHFFFAOYSA-N
XLogP4.29
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide
CID 101158082
3-[(2-ethoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-1H-indole
CID 162689482
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 42994892
3-[(2-methoxyphenyl)-(4-methylphenyl)sulfonylmethyl]-1H-indole
CID 162689484
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-methylbenzenesulfonamide
CID 983506
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
3-(1-methylsulfonylpropyl)-1H-indole
CID 162689474
N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 91734520
N-[2-(1H-indol-3-yl)-2-(4-methylphenyl)ethyl]methanesulfonamide
CID 110293010
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
1H-indol-3-yl 2-[(4-methylphenyl)sulfonylamino]propanoate
CID 4227873

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide (CID 11428257) is N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide is CCN(CC(C)c1c[nH]c2ccccc12)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide?
The InChIKey is YSUJBHGZPRLNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-4-22(25(23,24)17-11-9-15(2)10-12-17)14-16(3)19-13-21-20-8-6-5-7-18(19)20/h5-13,16,21H,4,14H2,1-3H3.
What are the key properties of N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide?
N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(1H-indol-3-yl)propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11428257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).