N-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide

C15H24IN3O4S — CID 16748091

IUPACN-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1cc(I)c(NS(C)(=O)=O)cc1OC
InChIInChI=1S/C15H24IN3O4S/c1-5-19(6-2)8-7-17-15(20)11-9-12(16)13(10-14(11)23-3)18-24(4,21)22/h9-10,18H,5-8H2,1-4H3,(H,17,20)
InChIKeyJTCHIIGQEVLELB-UHFFFAOYSA-N
MW469.35 g/mol
LogP1.74
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide

N-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide (PubChem CID 16748091) has the molecular formula C15H24IN3O4S and a molecular weight of 469.35 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide
PubChem CID16748091
Molecular FormulaC15H24IN3O4S
Molecular Weight469.35 g/mol
Exact Mass469.05
IUPAC NameN-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide
SMILESCCN(CC)CCNC(=O)c1cc(I)c(NS(C)(=O)=O)cc1OC
InChIInChI=1S/C15H24IN3O4S/c1-5-19(6-2)8-7-17-15(20)11-9-12(16)13(10-14(11)23-3)18-24(4,21)22/h9-10,18H,5-8H2,1-4H3,(H,17,20)
InChIKeyJTCHIIGQEVLELB-UHFFFAOYSA-N
XLogP1.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide (CID 16748091) is N-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide is CCN(CC)CCNC(=O)c1cc(I)c(NS(C)(=O)=O)cc1OC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide?
The InChIKey is JTCHIIGQEVLELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3O4S/c1-5-19(6-2)8-7-17-15(20)11-9-12(16)13(10-14(11)23-3)18-24(4,21)22/h9-10,18H,5-8H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide?
N-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide has a molecular weight of 469.35 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-iodo-4-(methanesulfonamido)-2-methoxybenzamide is sourced from PubChem (CID 16748091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).