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

C26H33N3O5S — CID 53025513

IUPACN-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C26H33N3O5S/c1-19-10-13-28(14-11-19)25(30)8-9-26(31)29-15-12-21-17-23(6-7-24(21)29)35(32,33)27-18-20-4-3-5-22(16-20)34-2/h3-7,16-17,19,27H,8-15,18H2,1-2H3
InChIKeyVSUCUSHKBLZIGT-UHFFFAOYSA-N
MW499.63 g/mol
LogP3.10
Rot. Bonds8

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

N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 53025513) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID53025513
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C26H33N3O5S/c1-19-10-13-28(14-11-19)25(30)8-9-26(31)29-15-12-21-17-23(6-7-24(21)29)35(32,33)27-18-20-4-3-5-22(16-20)34-2/h3-7,16-17,19,27H,8-15,18H2,1-2H3
InChIKeyVSUCUSHKBLZIGT-UHFFFAOYSA-N
XLogP3.10
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 53.10
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
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53025519
1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025499
1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 100610018
N-[(4-methylphenyl)methyl]-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025447
N-[(4-chlorophenyl)methyl]-1-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53030615
4-methoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092470
1-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
CID 53030619
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-oxo-4-pyrrolidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53004989
N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025463
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 20950660
N-(4-methoxyphenyl)-1-(4-morpholin-4-yl-4-oxobutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025542

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide (CID 53025513) is N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide is COc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is VSUCUSHKBLZIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-19-10-13-28(14-11-19)25(30)8-9-26(31)29-15-12-21-17-23(6-7-24(21)29)35(32,33)27-18-20-4-3-5-22(16-20)34-2/h3-7,16-17,19,27H,8-15,18H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide?
N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 499.63 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 53025513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).