N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide

C17H29N3O3S — CID 113066412

IUPACN-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCN(CCCN(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C17H29N3O3S/c1-15-7-5-8-16(13-15)14-17(21)18-9-12-20(24(4,22)23)11-6-10-19(2)3/h5,7-8,13H,6,9-12,14H2,1-4H3,(H,18,21)
InChIKeyXHLDYKKCQRVXRN-UHFFFAOYSA-N
MW355.50 g/mol
LogP0.87
Rot. Bonds10

About N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide

N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide (PubChem CID 113066412) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
PubChem CID113066412
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC NameN-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCCN(CCCN(C)C)S(C)(=O)=O)c1
InChIInChI=1S/C17H29N3O3S/c1-15-7-5-8-16(13-15)14-17(21)18-9-12-20(24(4,22)23)11-6-10-19(2)3/h5,7-8,13H,6,9-12,14H2,1-4H3,(H,18,21)
InChIKeyXHLDYKKCQRVXRN-UHFFFAOYSA-N
XLogP0.87
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
N-[2-[(2-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113067030
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-2-(4-methylphenyl)acetamide
CID 113066272
N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066497
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113065386
2-(4-methylphenyl)-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]acetamide
CID 113067963
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066712
N-[2-(diethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 17144542
N-[2-(3-acetyl-N-methylsulfonylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113070993
2-(3-methylphenyl)-N-(3-sulfamoylpropyl)acetamide
CID 62388737

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide (CID 113066412) is N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCCN(CCCN(C)C)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide?
The InChIKey is XHLDYKKCQRVXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-15-7-5-8-16(13-15)14-17(21)18-9-12-20(24(4,22)23)11-6-10-19(2)3/h5,7-8,13H,6,9-12,14H2,1-4H3,(H,18,21).
What are the key properties of N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide?
N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide has a molecular weight of 355.50 g/mol, XLogP of 0.87, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113066412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).