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

C14H22N2O4S — CID 133178688

IUPACN-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCOCCCNC(=O)C(c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-16(21(3,18)19)13(12-8-5-4-6-9-12)14(17)15-10-7-11-20-2/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,15,17)
InChIKeyQOXFSYFZXZVNSV-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.77
Rot. Bonds8

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

N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (PubChem CID 133178688) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
PubChem CID133178688
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
SMILESCOCCCNC(=O)C(c1ccccc1)N(C)S(C)(=O)=O
InChIInChI=1S/C14H22N2O4S/c1-16(21(3,18)19)13(12-8-5-4-6-9-12)14(17)15-10-7-11-20-2/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,15,17)
InChIKeyQOXFSYFZXZVNSV-UHFFFAOYSA-N
XLogP0.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[methyl(methylsulfonyl)amino]-2-phenyl-N-(3-phenylpropyl)acetamide
CID 125053712
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100758648
(2S)-N-[3-(N-methylanilino)propyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125058040
N-(2-methoxyethyl)-2-[[2-[methyl(methylsulfonyl)amino]-2-phenylacetyl]amino]benzamide
CID 133210259
N-[2-(4-tert-butylphenoxy)ethyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133252135
2-[methyl(methylsulfonyl)amino]-2-phenyl-N-[2-(2-propan-2-ylphenoxy)ethyl]acetamide
CID 133165364
(2R)-N-[(2-methoxyphenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 100773773
(2R)-2-[methyl(methylsulfonyl)amino]-N-[3-(3-methylphenyl)propyl]-2-phenylacetamide
CID 100566721
N-methyl-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133224889
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
CID 2289786
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
N-[(4-chlorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 133160999

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide (CID 133178688) is N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is COCCCNC(=O)C(c1ccccc1)N(C)S(C)(=O)=O.
What is the InChIKey of N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
The InChIKey is QOXFSYFZXZVNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-16(21(3,18)19)13(12-8-5-4-6-9-12)14(17)15-10-7-11-20-2/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,15,17).
What are the key properties of N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide?
N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide has a molecular weight of 314.41 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide is sourced from PubChem (CID 133178688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).