3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide

C15H24N2O5S — CID 51078705

IUPAC3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide
SMILESCOCCOCCCNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O5S/c1-12-5-6-13(11-14(12)17-23(3,19)20)15(18)16-7-4-8-22-10-9-21-2/h5-6,11,17H,4,7-10H2,1-3H3,(H,16,18)
InChIKeyDDAILXAGDDMQEB-UHFFFAOYSA-N
MW344.43 g/mol
LogP1.15
Rot. Bonds10

About 3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide

3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide (PubChem CID 51078705) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide
PubChem CID51078705
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide
SMILESCOCCOCCCNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1
InChIInChI=1S/C15H24N2O5S/c1-12-5-6-13(11-14(12)17-23(3,19)20)15(18)16-7-4-8-22-10-9-21-2/h5-6,11,17H,4,7-10H2,1-3H3,(H,16,18)
InChIKeyDDAILXAGDDMQEB-UHFFFAOYSA-N
XLogP1.15
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 94617104
N-[3-(3,4-dimethoxyphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 48599378
3-(methanesulfonamido)-N-[(2R)-1-methoxypropan-2-yl]-4-methylbenzamide
CID 41448762
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
3-(methanesulfonamido)-4-methyl-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
CID 99443545
3-(methanesulfonamido)-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392350
2-[[3-(methanesulfonamido)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189349
4-chloro-3-(methanesulfonamido)-N-(3-propan-2-yloxypropyl)benzamide
CID 49014960
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
4-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55408011
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
N-[3-(2-methoxyethoxy)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55407812

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide (CID 51078705) is 3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide is COCCOCCCNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide?
The InChIKey is DDAILXAGDDMQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-12-5-6-13(11-14(12)17-23(3,19)20)15(18)16-7-4-8-22-10-9-21-2/h5-6,11,17H,4,7-10H2,1-3H3,(H,16,18).
What are the key properties of 3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide?
3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide has a molecular weight of 344.43 g/mol, XLogP of 1.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[3-(2-methoxyethoxy)propyl]-4-methylbenzamide is sourced from PubChem (CID 51078705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).