3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole

C21H28N4O3S — CID 70844186

IUPAC3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole
SMILESCCN(CC)S(=O)(=O)Nc1cccc(-c2c(N)c3ccc(OC)cc3n2CC)c1
InChIInChI=1S/C21H28N4O3S/c1-5-24(6-2)29(26,27)23-16-10-8-9-15(13-16)21-20(22)18-12-11-17(28-4)14-19(18)25(21)7-3/h8-14,23H,5-7,22H2,1-4H3
InChIKeyIDJZSAWCLGYJCV-UHFFFAOYSA-N
MW416.55 g/mol
LogP3.92
Rot. Bonds8

About 3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole

3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole (PubChem CID 70844186) has the molecular formula C21H28N4O3S and a molecular weight of 416.55 g/mol. Its IUPAC name is 3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole.

Molecular Properties

Compound Name3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole
PubChem CID70844186
Molecular FormulaC21H28N4O3S
Molecular Weight416.55 g/mol
Exact Mass416.19
IUPAC Name3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole
SMILESCCN(CC)S(=O)(=O)Nc1cccc(-c2c(N)c3ccc(OC)cc3n2CC)c1
InChIInChI=1S/C21H28N4O3S/c1-5-24(6-2)29(26,27)23-16-10-8-9-15(13-16)21-20(22)18-12-11-17(28-4)14-19(18)25(21)7-3/h8-14,23H,5-7,22H2,1-4H3
InChIKeyIDJZSAWCLGYJCV-UHFFFAOYSA-N
XLogP3.92
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 70844655
N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844494
phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024512
prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024519
1-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-butylurea
CID 70844657
N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844699
2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine
CID 70844181
N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide
CID 70844173
3-chloropropyl N-[3-(3-amino-1-ethyl-5-methoxyindol-2-yl)phenyl]carbamate
CID 89024430
2-chloroethyl N-[3-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)phenyl]carbamate
CID 89024374
N-[3-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]methanesulfonamide
CID 58694205
ethyl N-[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 59424974

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole?
The IUPAC name of 3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole (CID 70844186) is 3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole.
What is the SMILES notation for 3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole?
The canonical SMILES for 3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole is CCN(CC)S(=O)(=O)Nc1cccc(-c2c(N)c3ccc(OC)cc3n2CC)c1.
What is the InChIKey of 3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole?
The InChIKey is IDJZSAWCLGYJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3S/c1-5-24(6-2)29(26,27)23-16-10-8-9-15(13-16)21-20(22)18-12-11-17(28-4)14-19(18)25(21)7-3/h8-14,23H,5-7,22H2,1-4H3.
What are the key properties of 3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole?
3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole has a molecular weight of 416.55 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole is sourced from PubChem (CID 70844186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).