N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide

C13H21N3O3S — CID 18005661

IUPACN-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide
SMILESCCS(=O)(=O)N(CCN(C)C(C)=O)c1ccc(N)cc1
InChIInChI=1S/C13H21N3O3S/c1-4-20(18,19)16(10-9-15(3)11(2)17)13-7-5-12(14)6-8-13/h5-8H,4,9-10,14H2,1-3H3
InChIKeyYJZSLGMLPSMIMD-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.90
Rot. Bonds6

About N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide

N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide (PubChem CID 18005661) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide
PubChem CID18005661
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide
SMILESCCS(=O)(=O)N(CCN(C)C(C)=O)c1ccc(N)cc1
InChIInChI=1S/C13H21N3O3S/c1-4-20(18,19)16(10-9-15(3)11(2)17)13-7-5-12(14)6-8-13/h5-8H,4,9-10,14H2,1-3H3
InChIKeyYJZSLGMLPSMIMD-UHFFFAOYSA-N
XLogP0.90
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-ethylethanesulfonamide
CID 63233742
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N-(4-aminophenyl)-1-phenyl-N-propylmethanesulfonamide
CID 63233636
N-(4-aminophenyl)-N-propylpropane-2-sulfonamide
CID 63233852
3-(N-ethylsulfonyl-4-iodoanilino)propanoic acid
CID 50891135
N-(4-aminophenyl)-N-methylpropane-1-sulfonamide
CID 28894568
4-N-(diethylsulfamoyl)-4-N-propylbenzene-1,4-diamine
CID 63233725
ethyl N-[(4-aminophenyl)-propylsulfamoyl]carbamate
CID 114461735
N-(4-aminophenyl)-N-methylsulfonylacetamide
CID 71399736
N-(2-aminoethyl)-N-(4-chlorophenyl)ethanesulfonamide
CID 28769588
N-(4-aminophenyl)-N-ethylpropane-2-sulfonamide
CID 63233825
N-(4-aminophenyl)-4-methyl-N-propylbenzenesulfonamide
CID 63233552

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide (CID 18005661) is N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide is CCS(=O)(=O)N(CCN(C)C(C)=O)c1ccc(N)cc1.
What is the InChIKey of N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide?
The InChIKey is YJZSLGMLPSMIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-4-20(18,19)16(10-9-15(3)11(2)17)13-7-5-12(14)6-8-13/h5-8H,4,9-10,14H2,1-3H3.
What are the key properties of N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide?
N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide has a molecular weight of 299.40 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-N-ethylsulfonylanilino)ethyl]-N-methylacetamide is sourced from PubChem (CID 18005661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).