N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide

C15H24N2O4S — CID 113149508

IUPACN-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide
SMILESCCN(C(=O)CN(CCCOC)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C15H24N2O4S/c1-4-17(14-9-6-5-7-10-14)15(18)13-16(22(3,19)20)11-8-12-21-2/h5-7,9-10H,4,8,11-13H2,1-3H3
InChIKeyUCVMJOLQMOIGAT-UHFFFAOYSA-N
MW328.43 g/mol
LogP1.34
Rot. Bonds9

About N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide

N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide (PubChem CID 113149508) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide
PubChem CID113149508
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC NameN-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide
SMILESCCN(C(=O)CN(CCCOC)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C15H24N2O4S/c1-4-17(14-9-6-5-7-10-14)15(18)13-16(22(3,19)20)11-8-12-21-2/h5-7,9-10H,4,8,11-13H2,1-3H3
InChIKeyUCVMJOLQMOIGAT-UHFFFAOYSA-N
XLogP1.34
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]-N-phenylacetamide
CID 113152166
N-ethyl-N-(3-methylphenyl)-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151893
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide
CID 113138161
2-[acetyl(3-methoxypropyl)amino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113160180
2-(4-acetyl-N-methylsulfonylanilino)-N-ethyl-N-phenylacetamide
CID 113155655
N-ethyl-3-(2-methoxy-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113144524
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 113155307
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide
CID 81494005
2-[N-(12-methoxydodecanoyl)anilino]acetic acid
CID 19611757
N-ethyl-3-(3-methoxy-N-methylsulfonylanilino)-N-phenylpropanamide
CID 113144633

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide (CID 113149508) is N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide is CCN(C(=O)CN(CCCOC)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide?
The InChIKey is UCVMJOLQMOIGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-4-17(14-9-6-5-7-10-14)15(18)13-16(22(3,19)20)11-8-12-21-2/h5-7,9-10H,4,8,11-13H2,1-3H3.
What are the key properties of N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide?
N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide has a molecular weight of 328.43 g/mol, XLogP of 1.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-methoxypropyl(methylsulfonyl)amino]-N-phenylacetamide is sourced from PubChem (CID 113149508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).