N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide

C20H25N3O3S — CID 70844494

IUPACN-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(OC)cc3n2CC)cc1
InChIInChI=1S/C20H25N3O3S/c1-4-12-27(24,25)22-15-8-6-14(7-9-15)20-19(21)17-11-10-16(26-3)13-18(17)23(20)5-2/h6-11,13,22H,4-5,12,21H2,1-3H3
InChIKeyKHVKYHGWXJVUFD-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.07
Rot. Bonds7

About N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide

N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide (PubChem CID 70844494) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
PubChem CID70844494
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(OC)cc3n2CC)cc1
InChIInChI=1S/C20H25N3O3S/c1-4-12-27(24,25)22-15-8-6-14(7-9-15)20-19(21)17-11-10-16(26-3)13-18(17)23(20)5-2/h6-11,13,22H,4-5,12,21H2,1-3H3
InChIKeyKHVKYHGWXJVUFD-UHFFFAOYSA-N
XLogP4.07
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844699
N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide
CID 70844173
3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole
CID 70844186
N-[4-[3-amino-6-[(3-amino-4-pyridinyl)oxy]-1-(cyclopropylmethyl)indol-2-yl]phenyl]propane-1-sulfonamide
CID 70826013
N-[4-[3-amino-1-(cyclopentylmethyl)-6-methoxyindol-2-yl]phenyl]propane-2-sulfonamide
CID 70844134
propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 70844655
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]-2-thiomorpholin-4-ylethanesulfonamide
CID 58693906
N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide
CID 89344177
1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea
CID 70844204
1-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-butylurea
CID 70844657
1-ethyl-2-(4-methoxyphenyl)-6-(trifluoromethyl)indol-3-amine
CID 70844875
2-(4-aminophenyl)-1-ethyl-5-methoxyindol-3-amine
CID 89024435

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide (CID 70844494) is N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2c(N)c3ccc(OC)cc3n2CC)cc1.
What is the InChIKey of N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide?
The InChIKey is KHVKYHGWXJVUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-4-12-27(24,25)22-15-8-6-14(7-9-15)20-19(21)17-11-10-16(26-3)13-18(17)23(20)5-2/h6-11,13,22H,4-5,12,21H2,1-3H3.
What are the key properties of N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide?
N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide has a molecular weight of 387.51 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 70844494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).