N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

C16H26N2O5S — CID 30257599

IUPACN-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)NCCCOC)S(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O5S/c1-4-11-23-15-8-6-14(7-9-15)18(24(3,20)21)13-16(19)17-10-5-12-22-2/h6-9H,4-5,10-13H2,1-3H3,(H,17,19)
InChIKeyOJMWTIHCWSPJMR-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.39
Rot. Bonds11

About N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (PubChem CID 30257599) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
PubChem CID30257599
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC NameN-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)NCCCOC)S(C)(=O)=O)cc1
InChIInChI=1S/C16H26N2O5S/c1-4-11-23-15-8-6-14(7-9-15)18(24(3,20)21)13-16(19)17-10-5-12-22-2/h6-9H,4-5,10-13H2,1-3H3,(H,17,19)
InChIKeyOJMWTIHCWSPJMR-UHFFFAOYSA-N
XLogP1.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2260858
N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30268815
N-[3-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30277544
N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160
2-(N-methylsulfonyl-4-propoxyanilino)-N-(2-phenylethyl)acetamide
CID 30257371
N-[3-(dimethylamino)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 2262311
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 9172892
2-(N-ethylsulfonyl-4-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39358683
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 94848392
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide
CID 2219429
N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30262204
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2890925

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (CID 30257599) is N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is CCCOc1ccc(N(CC(=O)NCCCOC)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The InChIKey is OJMWTIHCWSPJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-4-11-23-15-8-6-14(7-9-15)18(24(3,20)21)13-16(19)17-10-5-12-22-2/h6-9H,4-5,10-13H2,1-3H3,(H,17,19).
What are the key properties of N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide has a molecular weight of 358.46 g/mol, XLogP of 1.39, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is sourced from PubChem (CID 30257599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).