N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide

C13H21N3O3S — CID 43218255

IUPACN-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCC(C)NC(=O)CNC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-9(2)16-13(17)8-15-10(3)11-4-6-12(7-5-11)20(14,18)19/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)(H2,14,18,19)
InChIKeyYJCAQNUFPILUFU-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.51
Rot. Bonds6

About N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide

N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide (PubChem CID 43218255) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
PubChem CID43218255
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCC(C)NC(=O)CNC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-9(2)16-13(17)8-15-10(3)11-4-6-12(7-5-11)20(14,18)19/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)(H2,14,18,19)
InChIKeyYJCAQNUFPILUFU-UHFFFAOYSA-N
XLogP0.51
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115356169
N-(2-methylpropyl)-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115571074
N-propyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43226335
methyl 2-[1-(4-sulfamoylphenyl)ethylamino]acetate
CID 43228683
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
N-propan-2-yl-2-[1-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 43398085
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
1,1-diethyl-3-[(1R)-1-(4-sulfamoylphenyl)ethyl]urea
CID 129375380
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
CID 43426311

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide?
The IUPAC name of N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide (CID 43218255) is N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide is CC(C)NC(=O)CNC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide?
The InChIKey is YJCAQNUFPILUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(2)16-13(17)8-15-10(3)11-4-6-12(7-5-11)20(14,18)19/h4-7,9-10,15H,8H2,1-3H3,(H,16,17)(H2,14,18,19).
What are the key properties of N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide?
N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide has a molecular weight of 299.40 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide is sourced from PubChem (CID 43218255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).