N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

C23H32N2O4S — CID 3243723

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCCC3=CCCCC3)cc2CC1C
InChIInChI=1S/C23H32N2O4S/c1-3-23(27)25-17(2)15-19-16-20(9-10-21(19)25)30(28,29)14-12-22(26)24-13-11-18-7-5-4-6-8-18/h7,9-10,16-17H,3-6,8,11-15H2,1-2H3,(H,24,26)
InChIKeyVUYZMMKGMLGODL-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.54
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide

N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (PubChem CID 3243723) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
PubChem CID3243723
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCCC3=CCCCC3)cc2CC1C
InChIInChI=1S/C23H32N2O4S/c1-3-23(27)25-17(2)15-19-16-20(9-10-21(19)25)30(28,29)14-12-22(26)24-13-11-18-7-5-4-6-8-18/h7,9-10,16-17H,3-6,8,11-15H2,1-2H3,(H,24,26)
InChIKeyVUYZMMKGMLGODL-UHFFFAOYSA-N
XLogP3.54
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide (CID 3243723) is N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCCC3=CCCCC3)cc2CC1C.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
The InChIKey is VUYZMMKGMLGODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-3-23(27)25-17(2)15-19-16-20(9-10-21(19)25)30(28,29)14-12-22(26)24-13-11-18-7-5-4-6-8-18/h7,9-10,16-17H,3-6,8,11-15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide has a molecular weight of 432.59 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide is sourced from PubChem (CID 3243723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).