N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide

C19H32N2O3S — CID 70939642

IUPACN-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNc1cccc(OCC2CC2)c1
InChIInChI=1S/C19H32N2O3S/c1-19(2,3)25(22,23)21-13-6-4-5-12-20-17-8-7-9-18(14-17)24-15-16-10-11-16/h7-9,14,16,20-21H,4-6,10-13,15H2,1-3H3
InChIKeySQJBIVRFDWJHMP-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.78
Rot. Bonds11

About N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide

N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide (PubChem CID 70939642) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide
PubChem CID70939642
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC NameN-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCCCCCNc1cccc(OCC2CC2)c1
InChIInChI=1S/C19H32N2O3S/c1-19(2,3)25(22,23)21-13-6-4-5-12-20-17-8-7-9-18(14-17)24-15-16-10-11-16/h7-9,14,16,20-21H,4-6,10-13,15H2,1-3H3
InChIKeySQJBIVRFDWJHMP-UHFFFAOYSA-N
XLogP3.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.78
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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Related Compounds

N-(5-anilinopentyl)-2-methylpropane-2-sulfonamide
CID 70939729
N-[5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylanilino]pentyl]-2-methylpropane-2-sulfonamide
CID 118376644
1-(7-tert-butylsulfonylheptyl)-3-(cyclopropylmethoxy)benzene
CID 159769567
N-[5-(1,3-benzothiazol-6-ylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939102
3-butoxy-N-octylaniline
CID 54800685
2-[3-[[3-(cyclopropylmethoxy)phenyl]sulfonylamino]propoxy]ethyl methanesulfonate
CID 146219495
2-methyl-N-[5-(4-thiophen-2-ylanilino)pentyl]propane-2-sulfonamide
CID 59230144
N-[5-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]pentyl]-2-methylpropane-2-sulfonamide
CID 89118415
2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 84674408
3-(cyclohexylmethoxy)-N-propan-2-ylaniline
CID 68752296
N-[5-(1H-indazol-5-ylamino)pentyl]-2-methylpropane-2-sulfonamide
CID 70939628
N-hexyl-3-methoxyaniline
CID 15500485

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide (CID 70939642) is N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCCCCCNc1cccc(OCC2CC2)c1.
What is the InChIKey of N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide?
The InChIKey is SQJBIVRFDWJHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-19(2,3)25(22,23)21-13-6-4-5-12-20-17-8-7-9-18(14-17)24-15-16-10-11-16/h7-9,14,16,20-21H,4-6,10-13,15H2,1-3H3.
What are the key properties of N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide?
N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide has a molecular weight of 368.54 g/mol, XLogP of 3.78, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(cyclopropylmethoxy)anilino]pentyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70939642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).