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

C17H28N2O5S — CID 30268815

IUPACN-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)NCCCOCC)S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O5S/c1-4-12-24-16-9-7-15(8-10-16)19(25(3,21)22)14-17(20)18-11-6-13-23-5-2/h7-10H,4-6,11-14H2,1-3H3,(H,18,20)
InChIKeyKBBMVEWZWWHBOP-UHFFFAOYSA-N
MW372.49 g/mol
LogP1.78
Rot. Bonds12

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

N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (PubChem CID 30268815) has the molecular formula C17H28N2O5S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
PubChem CID30268815
Molecular FormulaC17H28N2O5S
Molecular Weight372.49 g/mol
Exact Mass372.17
IUPAC NameN-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)NCCCOCC)S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O5S/c1-4-12-24-16-9-7-15(8-10-16)19(25(3,21)22)14-17(20)18-11-6-13-23-5-2/h7-10H,4-6,11-14H2,1-3H3,(H,18,20)
InChIKeyKBBMVEWZWWHBOP-UHFFFAOYSA-N
XLogP1.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 51.78
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

N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30257599
2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2260858
N-[3-(4-methoxyphenyl)propyl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30277544
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-chloro-4-fluoro-N-methylsulfonylanilino)-N-(3-ethoxypropyl)acetamide
CID 126411249
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 94848392
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(3-ethoxypropyl)acetamide
CID 126138621
2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30220393
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(3-ethoxypropyl)acetamide
CID 92664035
N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30262204
N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (CID 30268815) is N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is CCCOc1ccc(N(CC(=O)NCCCOCC)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The InChIKey is KBBMVEWZWWHBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5S/c1-4-12-24-16-9-7-15(8-10-16)19(25(3,21)22)14-17(20)18-11-6-13-23-5-2/h7-10H,4-6,11-14H2,1-3H3,(H,18,20).
What are the key properties of N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide has a molecular weight of 372.49 g/mol, XLogP of 1.78, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is sourced from PubChem (CID 30268815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).