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

C25H37N3O4S — CID 53057540

IUPACN-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC1CCN(C(=O)CCC(=O)N2CCc3cc(S(=O)(=O)NC4CCCCCC4)ccc32)CC1
InChIInChI=1S/C25H37N3O4S/c1-19-12-15-27(16-13-19)24(29)10-11-25(30)28-17-14-20-18-22(8-9-23(20)28)33(31,32)26-21-6-4-2-3-5-7-21/h8-9,18-19,21,26H,2-7,10-17H2,1H3
InChIKeyIKLGVNKGNONAFO-UHFFFAOYSA-N
MW475.66 g/mol
LogP3.62
Rot. Bonds6

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

N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 53057540) has the molecular formula C25H37N3O4S and a molecular weight of 475.66 g/mol. Its IUPAC name is N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID53057540
Molecular FormulaC25H37N3O4S
Molecular Weight475.66 g/mol
Exact Mass475.25
IUPAC NameN-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC1CCN(C(=O)CCC(=O)N2CCc3cc(S(=O)(=O)NC4CCCCCC4)ccc32)CC1
InChIInChI=1S/C25H37N3O4S/c1-19-12-15-27(16-13-19)24(29)10-11-25(30)28-17-14-20-18-22(8-9-23(20)28)33(31,32)26-21-6-4-2-3-5-7-21/h8-9,18-19,21,26H,2-7,10-17H2,1H3
InChIKeyIKLGVNKGNONAFO-UHFFFAOYSA-N
XLogP3.62
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(cyclooctylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864290
1-(4-methylpiperidin-1-yl)-4-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025499
N-cyclopentyl-1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 19164498
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53025519
1-[5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]-4-pyrrolidin-1-ylbutane-1,4-dione
CID 53030619
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53025513
1-acetyl-N-cycloheptyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3453929
N-cyclopentyl-1-(2-propylpentanoyl)-2,3-dihydroindole-5-sulfonamide
CID 19164449
1-acetyl-N-cyclopentyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3388851
N-(2-methoxyethyl)-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025463
1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 53025625

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide (CID 53057540) is N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide is CC1CCN(C(=O)CCC(=O)N2CCc3cc(S(=O)(=O)NC4CCCCCC4)ccc32)CC1.
What is the InChIKey of N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is IKLGVNKGNONAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4S/c1-19-12-15-27(16-13-19)24(29)10-11-25(30)28-17-14-20-18-22(8-9-23(20)28)33(31,32)26-21-6-4-2-3-5-7-21/h8-9,18-19,21,26H,2-7,10-17H2,1H3.
What are the key properties of N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide?
N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 475.66 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 53057540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).