N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide

C24H33N3O3S — CID 47084013

IUPACN,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCCN(CC)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)cc1
InChIInChI=1S/C24H33N3O3S/c1-5-16-25(6-2)21-11-9-19(10-12-21)24(28)27-17-15-20-18-22(13-14-23(20)27)31(29,30)26(7-3)8-4/h9-14,18H,5-8,15-17H2,1-4H3
InChIKeyPELDMBWQTGPPDG-UHFFFAOYSA-N
MW443.61 g/mol
LogP4.16
Rot. Bonds9

About N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 47084013) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID47084013
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC NameN,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCCN(CC)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)cc1
InChIInChI=1S/C24H33N3O3S/c1-5-16-25(6-2)21-11-9-19(10-12-21)24(28)27-17-15-20-18-22(13-14-23(20)27)31(29,30)26(7-3)8-4/h9-14,18H,5-8,15-17H2,1-4H3
InChIKeyPELDMBWQTGPPDG-UHFFFAOYSA-N
XLogP4.16
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(diethylamino)benzoyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 112800385
N,N-diethyl-1-(4-propan-2-ylbenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 26764981
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
N,N-diethyl-1-[4-(ethylsulfanylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 52696465
N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 4045730
N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052
N,N-diethyl-1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 46636160
N-butyl-1-(cyclobutanecarbonyl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
CID 15999100
N,N-diethyl-1-[3-(pyrrolidin-1-ylmethyl)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 60560523
N,N-diethyl-1-(3-oxo-4H-1,4-benzoxazine-7-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 55438539

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide (CID 47084013) is N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide is CCCN(CC)c1ccc(C(=O)N2CCc3cc(S(=O)(=O)N(CC)CC)ccc32)cc1.
What is the InChIKey of N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is PELDMBWQTGPPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-5-16-25(6-2)21-11-9-19(10-12-21)24(28)27-17-15-20-18-22(13-14-23(20)27)31(29,30)26(7-3)8-4/h9-14,18H,5-8,15-17H2,1-4H3.
What are the key properties of N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 443.61 g/mol, XLogP of 4.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[4-[ethyl(propyl)amino]benzoyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 47084013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).