N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide

C13H20N2O4S — CID 60652870

IUPACN-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide
SMILESCOCCCNC(=O)CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-19-9-3-8-14-13(16)10-15-11-4-6-12(7-5-11)20(2,17)18/h4-7,15H,3,8-10H2,1-2H3,(H,14,16)
InChIKeyRPIHFKOIKHXUIC-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.65
Rot. Bonds8

About N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide

N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide (PubChem CID 60652870) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide
PubChem CID60652870
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide
SMILESCOCCCNC(=O)CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-19-9-3-8-14-13(16)10-15-11-4-6-12(7-5-11)20(2,17)18/h4-7,15H,3,8-10H2,1-2H3,(H,14,16)
InChIKeyRPIHFKOIKHXUIC-UHFFFAOYSA-N
XLogP0.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.65
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

1-(3-methoxypropyl)-3-(4-methylsulfonylphenyl)urea
CID 47197998
N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide
CID 28579456
N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide
CID 54834375
2-(3,5-difluoroanilino)-N-(3-methoxypropyl)acetamide
CID 60702097
2-(3-chloro-4-methoxyanilino)-N-(3-methoxypropyl)acetamide
CID 54819347
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
2-(1,3-benzodioxol-5-ylamino)-N-(3-methoxypropyl)acetamide
CID 60646621
N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822487
N-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844883
N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide
CID 98018394
N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836394
4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836454

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide (CID 60652870) is N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide is COCCCNC(=O)CNc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide?
The InChIKey is RPIHFKOIKHXUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-19-9-3-8-14-13(16)10-15-11-4-6-12(7-5-11)20(2,17)18/h4-7,15H,3,8-10H2,1-2H3,(H,14,16).
What are the key properties of N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide?
N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide has a molecular weight of 300.38 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide is sourced from PubChem (CID 60652870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).