N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide

C25H38N4O4S — CID 53025519

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(C)CC1
InChIInChI=1S/C25H38N4O4S/c1-3-27-13-4-5-21(27)18-26-34(32,33)22-6-7-23-20(17-22)12-16-29(23)25(31)9-8-24(30)28-14-10-19(2)11-15-28/h6-7,17,19,21,26H,3-5,8-16,18H2,1-2H3
InChIKeyLYCRLTDISGGZAX-UHFFFAOYSA-N
MW490.67 g/mol
LogP2.38
Rot. Bonds8

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 53025519) has the molecular formula C25H38N4O4S and a molecular weight of 490.67 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID53025519
Molecular FormulaC25H38N4O4S
Molecular Weight490.67 g/mol
Exact Mass490.26
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN1CCCC1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(C)CC1
InChIInChI=1S/C25H38N4O4S/c1-3-27-13-4-5-21(27)18-26-34(32,33)22-6-7-23-20(17-22)12-16-29(23)25(31)9-8-24(30)28-14-10-19(2)11-15-28/h6-7,17,19,21,26H,3-5,8-16,18H2,1-2H3
InChIKeyLYCRLTDISGGZAX-UHFFFAOYSA-N
XLogP2.38
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53057540
1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025499
1-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
CID 53030619
N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53025513
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 53025625
N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025463
N-[(4-methylphenyl)methyl]-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025447
1-(azepan-1-yl)-4-[5-(2-ethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025613
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 53025638
4-oxo-4-[5-(oxolan-2-ylmethylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid
CID 20864301
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(4-ethylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 53057564
N-[(4-chlorophenyl)methyl]-1-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53030615

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide (CID 53025519) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide is CCN1CCCC1CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)N1CCC(C)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is LYCRLTDISGGZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O4S/c1-3-27-13-4-5-21(27)18-26-34(32,33)22-6-7-23-20(17-22)12-16-29(23)25(31)9-8-24(30)28-14-10-19(2)11-15-28/h6-7,17,19,21,26H,3-5,8-16,18H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 490.67 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 53025519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).