N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide

C12H19N3O3S — CID 43226387

IUPACN,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide
SMILESCC(NCC(=O)N(C)C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-9(14-8-12(16)15(2)3)10-5-4-6-11(7-10)19(13,17)18/h4-7,9,14H,8H2,1-3H3,(H2,13,17,18)
InChIKeyTXHAQXNXFKCMSX-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.07
Rot. Bonds5

About N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide

N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide (PubChem CID 43226387) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide
PubChem CID43226387
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide
SMILESCC(NCC(=O)N(C)C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-9(14-8-12(16)15(2)3)10-5-4-6-11(7-10)19(13,17)18/h4-7,9,14H,8H2,1-3H3,(H2,13,17,18)
InChIKeyTXHAQXNXFKCMSX-UHFFFAOYSA-N
XLogP0.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-chloroprop-2-enylamino)ethyl]benzenesulfonamide
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N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311
N,N-dimethyl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 28564746
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-[2-[ethyl(methyl)amino]ethylamino]ethyl]benzenesulfonamide
CID 62635028
4-[1-(3-sulfamoylphenyl)ethylamino]butanoic acid
CID 60782795
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
1,1-diethyl-3-[1-(3-sulfamoylphenyl)ethyl]urea
CID 112729478
3-[1-(2,2-diethoxyethylamino)ethyl]benzenesulfonamide
CID 79537992
3-[1-(4-methylpentylamino)ethyl]benzenesulfonamide
CID 54913678
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-(1-methylsulfonylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 64629789

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide?
The IUPAC name of N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide (CID 43226387) is N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide is CC(NCC(=O)N(C)C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide?
The InChIKey is TXHAQXNXFKCMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(14-8-12(16)15(2)3)10-5-4-6-11(7-10)19(13,17)18/h4-7,9,14H,8H2,1-3H3,(H2,13,17,18).
What are the key properties of N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide?
N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1-(3-sulfamoylphenyl)ethylamino]acetamide is sourced from PubChem (CID 43226387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).