N,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide

C20H26N4O3S — CID 62707571

IUPACN,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide
SMILESCc1noc(-c2ccc3c(c2)c2c(n3CCCS(=O)(=O)N(C)C)CCCC2)n1
InChIInChI=1S/C20H26N4O3S/c1-14-21-20(27-22-14)15-9-10-19-17(13-15)16-7-4-5-8-18(16)24(19)11-6-12-28(25,26)23(2)3/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyZJOQIDPRFYDEQL-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.16
Rot. Bonds6

About N,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide

N,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide (PubChem CID 62707571) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide
PubChem CID62707571
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide
SMILESCc1noc(-c2ccc3c(c2)c2c(n3CCCS(=O)(=O)N(C)C)CCCC2)n1
InChIInChI=1S/C20H26N4O3S/c1-14-21-20(27-22-14)15-9-10-19-17(13-15)16-7-4-5-8-18(16)24(19)11-6-12-28(25,26)23(2)3/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyZJOQIDPRFYDEQL-UHFFFAOYSA-N
XLogP3.16
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide (CID 62707571) is N,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide is Cc1noc(-c2ccc3c(c2)c2c(n3CCCS(=O)(=O)N(C)C)CCCC2)n1.
What is the InChIKey of N,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide?
The InChIKey is ZJOQIDPRFYDEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-14-21-20(27-22-14)15-9-10-19-17(13-15)16-7-4-5-8-18(16)24(19)11-6-12-28(25,26)23(2)3/h9-10,13H,4-8,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide?
N,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide has a molecular weight of 402.52 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,3,4-tetrahydrocarbazol-9-yl]propane-1-sulfonamide is sourced from PubChem (CID 62707571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).