N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide

C18H32N2O4S — CID 59549730

IUPACN-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide
SMILESCCOc1ccc(NCCCCCNS(=O)(=O)C(C)C)cc1OCC
InChIInChI=1S/C18H32N2O4S/c1-5-23-17-11-10-16(14-18(17)24-6-2)19-12-8-7-9-13-20-25(21,22)15(3)4/h10-11,14-15,19-20H,5-9,12-13H2,1-4H3
InChIKeyVVTGLZKHJWGBOH-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.39
Rot. Bonds13

About N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide

N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide (PubChem CID 59549730) has the molecular formula C18H32N2O4S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide
PubChem CID59549730
Molecular FormulaC18H32N2O4S
Molecular Weight372.53 g/mol
Exact Mass372.21
IUPAC NameN-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide
SMILESCCOc1ccc(NCCCCCNS(=O)(=O)C(C)C)cc1OCC
InChIInChI=1S/C18H32N2O4S/c1-5-23-17-11-10-16(14-18(17)24-6-2)19-12-8-7-9-13-20-25(21,22)15(3)4/h10-11,14-15,19-20H,5-9,12-13H2,1-4H3
InChIKeyVVTGLZKHJWGBOH-UHFFFAOYSA-N
XLogP3.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-butoxy-3-hydroxyanilino)pentyl]propane-2-sulfonamide
CID 70939723
3,4-diethoxy-N-(3-methylsulfonylpropyl)aniline
CID 63191159
4-ethoxy-3-methoxy-N-pentylaniline
CID 43229052
N-[5-(4-bromoanilino)pentyl]propane-2-sulfonamide
CID 70938775
N'-(3,4-diethoxyphenyl)propane-1,3-diamine
CID 62505868
3,4-diethoxy-N-hept-6-enylaniline
CID 107006456
N-(4-ethoxy-3-methoxyphenyl)propane-2-sulfonamide
CID 62997998
N-[5-[(1,3-dioxo-2-propan-2-ylisoindol-5-yl)amino]pentyl]propane-2-sulfonamide
CID 59230593
4-(3,4-diethoxyanilino)-N-methylbutanamide
CID 63890112
3,4-diethoxy-N-(2-phenylethyl)aniline
CID 29291848
N-[5-[3-chloro-4-[cyano(phenyl)methyl]anilino]pentyl]propane-2-sulfonamide
CID 70938957
N-methyl-N-[4-[5-(propan-2-ylsulfonylamino)pentylamino]phenyl]acetamide
CID 70939605

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide?
The IUPAC name of N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide (CID 59549730) is N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide is CCOc1ccc(NCCCCCNS(=O)(=O)C(C)C)cc1OCC.
What is the InChIKey of N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide?
The InChIKey is VVTGLZKHJWGBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4S/c1-5-23-17-11-10-16(14-18(17)24-6-2)19-12-8-7-9-13-20-25(21,22)15(3)4/h10-11,14-15,19-20H,5-9,12-13H2,1-4H3.
What are the key properties of N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide?
N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide has a molecular weight of 372.53 g/mol, XLogP of 3.39, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-diethoxyanilino)pentyl]propane-2-sulfonamide is sourced from PubChem (CID 59549730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).