N-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide

C20H30N2O3S — CID 70939264

IUPACN-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide
SMILESCc1c(NCCCCCNS(=O)(=O)C(C)C)ccc(-c2ccco2)c1C
InChIInChI=1S/C20H30N2O3S/c1-15(2)26(23,24)22-13-7-5-6-12-21-19-11-10-18(16(3)17(19)4)20-9-8-14-25-20/h8-11,14-15,21-22H,5-7,12-13H2,1-4H3
InChIKeyBJUFXQCOJBXUIY-UHFFFAOYSA-N
MW378.54 g/mol
LogP4.47
Rot. Bonds10

About N-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide

N-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide (PubChem CID 70939264) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide
PubChem CID70939264
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide
SMILESCc1c(NCCCCCNS(=O)(=O)C(C)C)ccc(-c2ccco2)c1C
InChIInChI=1S/C20H30N2O3S/c1-15(2)26(23,24)22-13-7-5-6-12-21-19-11-10-18(16(3)17(19)4)20-9-8-14-25-20/h8-11,14-15,21-22H,5-7,12-13H2,1-4H3
InChIKeyBJUFXQCOJBXUIY-UHFFFAOYSA-N
XLogP4.47
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide?
The IUPAC name of N-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide (CID 70939264) is N-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide is Cc1c(NCCCCCNS(=O)(=O)C(C)C)ccc(-c2ccco2)c1C.
What is the InChIKey of N-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide?
The InChIKey is BJUFXQCOJBXUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-15(2)26(23,24)22-13-7-5-6-12-21-19-11-10-18(16(3)17(19)4)20-9-8-14-25-20/h8-11,14-15,21-22H,5-7,12-13H2,1-4H3.
What are the key properties of N-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide?
N-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide has a molecular weight of 378.54 g/mol, XLogP of 4.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(furan-2-yl)-2,3-dimethylanilino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 70939264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).