N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide

C36H60N4O11S2 — CID 161328920

IUPACN-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide
SMILESCC(=O)NC(C)COCCOCC(C)NS(=O)(=O)c1ccc(C)cc1.CC(=O)NCCCOCCOCCOCCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H32N2O6S.C17H28N2O5S/c1-17-5-7-19(8-6-17)28(23,24)21-10-4-12-26-14-16-27-15-13-25-11-3-9-20-18(2)22;1-13-5-7-17(8-6-13)25(21,22)19-15(3)12-24-10-9-23-11-14(2)18-16(4)20/h5-8,21H,3-4,9-16H2,1-2H3,(H,20,22);5-8,14-15,19H,9-12H2,1-4H3,(H,18,20)
InChIKeyVLDPBGOSVXSHSJ-UHFFFAOYSA-N
MW789.03 g/mol
LogP2.46
Rot. Bonds27

About N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide

N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide (PubChem CID 161328920) has the molecular formula C36H60N4O11S2 and a molecular weight of 789.03 g/mol. Its IUPAC name is N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide
PubChem CID161328920
Molecular FormulaC36H60N4O11S2
Molecular Weight789.03 g/mol
Exact Mass788.37
IUPAC NameN-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide
SMILESCC(=O)NC(C)COCCOCC(C)NS(=O)(=O)c1ccc(C)cc1.CC(=O)NCCCOCCOCCOCCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H32N2O6S.C17H28N2O5S/c1-17-5-7-19(8-6-17)28(23,24)21-10-4-12-26-14-16-27-15-13-25-11-3-9-20-18(2)22;1-13-5-7-17(8-6-13)25(21,22)19-15(3)12-24-10-9-23-11-14(2)18-16(4)20/h5-8,21H,3-4,9-16H2,1-2H3,(H,20,22);5-8,14-15,19H,9-12H2,1-4H3,(H,18,20)
InChIKeyVLDPBGOSVXSHSJ-UHFFFAOYSA-N
XLogP2.46
TPSA196.69 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds27
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.03
LogP ≤ 52.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(4-methylphenyl)sulfonylamino]propyl]propanamide
CID 14382253
3-[(4-methylphenyl)sulfonylamino]butylcarbamic acid
CID 139490787
N-[4-[(4-tert-butylphenyl)sulfonylamino]butyl]acetamide
CID 110358631
3-acetamidopropyl 4-methylbenzenesulfonate
CID 134304469
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3728268
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-[4-[[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]amino]butyl]propanamide
CID 23246042
N-[3-(2-methoxyethoxy)propyl]-4-methylsulfonylbenzenesulfonamide
CID 55559817
2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108571600
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
2,2,2-trifluoro-N-[2-[2-[(2S)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutoxy]ethoxy]ethyl]acetamide;2,2,2-trifluoro-N-[2-[2-[(2R)-2-[(4-hydroxyphenyl)sulfonylamino]propoxy]ethoxy]ethyl]acetamide
CID 167547216
N-(3-butoxypropyl)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46652731

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide?
The IUPAC name of N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide (CID 161328920) is N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide?
The canonical SMILES for N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide is CC(=O)NC(C)COCCOCC(C)NS(=O)(=O)c1ccc(C)cc1.CC(=O)NCCCOCCOCCOCCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide?
The InChIKey is VLDPBGOSVXSHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O6S.C17H28N2O5S/c1-17-5-7-19(8-6-17)28(23,24)21-10-4-12-26-14-16-27-15-13-25-11-3-9-20-18(2)22;1-13-5-7-17(8-6-13)25(21,22)19-15(3)12-24-10-9-23-11-14(2)18-16(4)20/h5-8,21H,3-4,9-16H2,1-2H3,(H,20,22);5-8,14-15,19H,9-12H2,1-4H3,(H,18,20).
What are the key properties of N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide?
N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide has a molecular weight of 789.03 g/mol, XLogP of 2.46, 27 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-[3-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]ethoxy]propyl]acetamide;N-[1-[2-[2-[(4-methylphenyl)sulfonylamino]propoxy]ethoxy]propan-2-yl]acetamide is sourced from PubChem (CID 161328920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).