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

C21H27N3O3S — CID 70844699

IUPACN-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCn1c(-c2ccc(NS(=O)(=O)CCC)cc2)c(N)c2ccc(OC)cc21
InChIInChI=1S/C21H27N3O3S/c1-4-12-24-19-14-17(27-3)10-11-18(19)20(22)21(24)15-6-8-16(9-7-15)23-28(25,26)13-5-2/h6-11,14,23H,4-5,12-13,22H2,1-3H3
InChIKeyZPYNOKVQWYRURO-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.46
Rot. Bonds8

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

N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide (PubChem CID 70844699) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
PubChem CID70844699
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
SMILESCCCn1c(-c2ccc(NS(=O)(=O)CCC)cc2)c(N)c2ccc(OC)cc21
InChIInChI=1S/C21H27N3O3S/c1-4-12-24-19-14-17(27-3)10-11-18(19)20(22)21(24)15-6-8-16(9-7-15)23-28(25,26)13-5-2/h6-11,14,23H,4-5,12-13,22H2,1-3H3
InChIKeyZPYNOKVQWYRURO-UHFFFAOYSA-N
XLogP4.46
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844494
1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea
CID 70844204
N-[4-[3-amino-6-(difluoromethoxy)-1-ethylindol-2-yl]phenyl]ethanesulfonamide
CID 70844173
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
N-[4-[3-amino-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]propane-1-sulfonamide
CID 89344177
3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole
CID 70844186
1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea
CID 70666782
2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 70844442
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
N-[4-[3-amino-1-cyclobutyl-6-(3-methylpyrazin-2-yl)oxyindol-2-yl]phenyl]propane-1-sulfonamide
CID 71177346
N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844247

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide (CID 70844699) is N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide is CCCn1c(-c2ccc(NS(=O)(=O)CCC)cc2)c(N)c2ccc(OC)cc21.
What is the InChIKey of N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide?
The InChIKey is ZPYNOKVQWYRURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-4-12-24-19-14-17(27-3)10-11-18(19)20(22)21(24)15-6-8-16(9-7-15)23-28(25,26)13-5-2/h6-11,14,23H,4-5,12-13,22H2,1-3H3.
What are the key properties of N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide?
N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide has a molecular weight of 401.53 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 70844699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).