1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide

C20H25N3O2S — CID 119110268

IUPAC1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C20H25N3O2S/c1-15(2)23-26(24,25)14-17-8-6-16(7-9-17)12-21-13-18-4-3-5-20-19(18)10-11-22-20/h3-11,15,21-23H,12-14H2,1-2H3
InChIKeyZTZZMGAOYOBWDT-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.29
Rot. Bonds8

About 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide

1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide (PubChem CID 119110268) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide
PubChem CID119110268
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide
SMILESCC(C)NS(=O)(=O)Cc1ccc(CNCc2cccc3[nH]ccc23)cc1
InChIInChI=1S/C20H25N3O2S/c1-15(2)23-26(24,25)14-17-8-6-16(7-9-17)12-21-13-18-4-3-5-20-19(18)10-11-22-20/h3-11,15,21-23H,12-14H2,1-2H3
InChIKeyZTZZMGAOYOBWDT-UHFFFAOYSA-N
XLogP3.29
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1H-indol-4-ylmethylamino)methyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 119110260
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-3-propan-2-ylurea
CID 119110190
N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
1-[2-[[(4-methylphenyl)methylamino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 119122181
N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide
CID 119109918
N-[3-(1H-indol-4-ylmethylamino)propyl]ethanesulfonamide
CID 119110562
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]piperidin-2-one
CID 119110221
4-[[[4-(propan-2-ylsulfamoylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122031179
3-(1H-indol-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688766
N-(1H-indol-4-ylmethyl)-1-[4-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 119109923
1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol
CID 110928680

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide (CID 119110268) is 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide is CC(C)NS(=O)(=O)Cc1ccc(CNCc2cccc3[nH]ccc23)cc1.
What is the InChIKey of 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
The InChIKey is ZTZZMGAOYOBWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-15(2)23-26(24,25)14-17-8-6-16(7-9-17)12-21-13-18-4-3-5-20-19(18)10-11-22-20/h3-11,15,21-23H,12-14H2,1-2H3.
What are the key properties of 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide?
1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide has a molecular weight of 371.51 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1H-indol-4-ylmethylamino)methyl]phenyl]-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 119110268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).