N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide

C13H23N3O4S2 — CID 113067541

IUPACN-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide
SMILESCN(C)S(=O)(=O)NCCN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H23N3O4S2/c1-15(2)22(19,20)14-10-12-16(21(3,17)18)11-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKeyJYTHFOBDNWOJQV-UHFFFAOYSA-N
MW349.48 g/mol
LogP-0.11
Rot. Bonds9

About N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide

N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide (PubChem CID 113067541) has the molecular formula C13H23N3O4S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide
PubChem CID113067541
Molecular FormulaC13H23N3O4S2
Molecular Weight349.48 g/mol
Exact Mass349.11
IUPAC NameN-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide
SMILESCN(C)S(=O)(=O)NCCN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C13H23N3O4S2/c1-15(2)22(19,20)14-10-12-16(21(3,17)18)11-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3
InChIKeyJYTHFOBDNWOJQV-UHFFFAOYSA-N
XLogP-0.11
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
N-[2-(dimethylsulfamoylamino)ethyl]-N-(3-phenylpropyl)acetamide
CID 113056474
2-methyl-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067498
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
2-methoxy-N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]benzamide
CID 113067504
N-[2-[2-(4-fluorophenyl)ethyl-methylsulfonylamino]ethyl]propane-1-sulfonamide
CID 113067647
N-[2-(4-chlorophenyl)ethyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151847
N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064904
2,2-dimethyl-N-[2-[methylsulfonyl(3-phenylpropyl)amino]ethyl]propanamide
CID 113067937
N-(4-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
CID 113069972
N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
CID 113067492
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide?
The IUPAC name of N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide (CID 113067541) is N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide.
What is the SMILES notation for N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide?
The canonical SMILES for N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide is CN(C)S(=O)(=O)NCCN(CCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide?
The InChIKey is JYTHFOBDNWOJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S2/c1-15(2)22(19,20)14-10-12-16(21(3,17)18)11-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3.
What are the key properties of N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide?
N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide has a molecular weight of 349.48 g/mol, XLogP of -0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylsulfamoylamino)ethyl]-N-(2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 113067541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).