4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide

C20H28N4O5S2 — CID 67936136

IUPAC4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide
SMILESCN(CCNC(=O)c1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H28N4O5S2/c1-24(14-12-16-4-8-18(9-5-16)22-30(2,26)27)15-13-21-20(25)17-6-10-19(11-7-17)23-31(3,28)29/h4-11,22-23H,12-15H2,1-3H3,(H,21,25)
InChIKeyPSTNBKOPKVBWNF-UHFFFAOYSA-N
MW468.60 g/mol
LogP1.33
Rot. Bonds11

About 4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide

4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide (PubChem CID 67936136) has the molecular formula C20H28N4O5S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide
PubChem CID67936136
Molecular FormulaC20H28N4O5S2
Molecular Weight468.60 g/mol
Exact Mass468.15
IUPAC Name4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide
SMILESCN(CCNC(=O)c1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C20H28N4O5S2/c1-24(14-12-16-4-8-18(9-5-16)22-30(2,26)27)15-13-21-20(25)17-6-10-19(11-7-17)23-31(3,28)29/h4-11,22-23H,12-15H2,1-3H3,(H,21,25)
InChIKeyPSTNBKOPKVBWNF-UHFFFAOYSA-N
XLogP1.33
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[ethyl-[2-[4-(methanesulfonamido)phenyl]ethyl]amino]ethyl]-4-(methanesulfonamido)benzamide
CID 67936156
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
N-[4-[4-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]butyl]phenyl]methanesulfonamide
CID 14645113
N-[2-[4-(methanesulfonamido)phenyl]ethyl]-N-methylprop-2-enamide
CID 166429377
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(methanesulfonamido)benzamide
CID 3691237
N-[4-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]ethyl]phenyl]methanesulfonamide
CID 54136082
N-(2-aminoethyl)-3-[4-(methanesulfonamido)phenyl]propanamide
CID 143892707
N-[3-[(2-cyanoacetyl)amino]propyl]-4-(methanesulfonamido)benzamide
CID 108924285
4-(methanesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 41477402
N-(2-bromoprop-2-enyl)-4-(methanesulfonamido)benzamide
CID 47438805
N-[3-[4-(methanesulfonamido)phenyl]propyl]-3-methoxybenzamide
CID 110602661
N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884759

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide (CID 67936136) is 4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide is CN(CCNC(=O)c1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide?
The InChIKey is PSTNBKOPKVBWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5S2/c1-24(14-12-16-4-8-18(9-5-16)22-30(2,26)27)15-13-21-20(25)17-6-10-19(11-7-17)23-31(3,28)29/h4-11,22-23H,12-15H2,1-3H3,(H,21,25).
What are the key properties of 4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide?
4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide has a molecular weight of 468.60 g/mol, XLogP of 1.33, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[2-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]ethyl]benzamide is sourced from PubChem (CID 67936136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).