N-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide

C20H29N3O4S2 — CID 14645108

IUPACN-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide
SMILESCN(CCCc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H29N3O4S2/c1-23(16-14-18-8-12-20(13-9-18)22-29(3,26)27)15-4-5-17-6-10-19(11-7-17)21-28(2,24)25/h6-13,21-22H,4-5,14-16H2,1-3H3
InChIKeyGFECICQWBKNZBT-UHFFFAOYSA-N
MW439.60 g/mol
LogP2.54
Rot. Bonds11

About N-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide

N-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide (PubChem CID 14645108) has the molecular formula C20H29N3O4S2 and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide
PubChem CID14645108
Molecular FormulaC20H29N3O4S2
Molecular Weight439.60 g/mol
Exact Mass439.16
IUPAC NameN-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide
SMILESCN(CCCc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H29N3O4S2/c1-23(16-14-18-8-12-20(13-9-18)22-29(3,26)27)15-4-5-17-6-10-19(11-7-17)21-28(2,24)25/h6-13,21-22H,4-5,14-16H2,1-3H3
InChIKeyGFECICQWBKNZBT-UHFFFAOYSA-N
XLogP2.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide (CID 14645108) is N-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide is CN(CCCc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide?
The InChIKey is GFECICQWBKNZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S2/c1-23(16-14-18-8-12-20(13-9-18)22-29(3,26)27)15-4-5-17-6-10-19(11-7-17)21-28(2,24)25/h6-13,21-22H,4-5,14-16H2,1-3H3.
What are the key properties of N-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide?
N-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide has a molecular weight of 439.60 g/mol, XLogP of 2.54, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]propyl]phenyl]methanesulfonamide is sourced from PubChem (CID 14645108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).