N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide

C14H23N3O3S — CID 115356169

IUPACN-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NC(C)(C)C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-10(16-9-13(18)17-14(2,3)4)11-5-7-12(8-6-11)21(15,19)20/h5-8,10,16H,9H2,1-4H3,(H,17,18)(H2,15,19,20)
InChIKeyOYEYEDPEFXCKOO-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.90
Rot. Bonds5

About N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide

N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide (PubChem CID 115356169) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
PubChem CID115356169
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
SMILESCC(NCC(=O)NC(C)(C)C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-10(16-9-13(18)17-14(2,3)4)11-5-7-12(8-6-11)21(15,19)20/h5-8,10,16H,9H2,1-4H3,(H,17,18)(H2,15,19,20)
InChIKeyOYEYEDPEFXCKOO-UHFFFAOYSA-N
XLogP0.90
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43218255
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
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide
CID 81298338
4-[1-[2-(tert-butylamino)ethylamino]ethyl]benzenesulfonamide
CID 107444925
4-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzenesulfonamide
CID 103910771
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide (CID 115356169) is N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide is CC(NCC(=O)NC(C)(C)C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide?
The InChIKey is OYEYEDPEFXCKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10(16-9-13(18)17-14(2,3)4)11-5-7-12(8-6-11)21(15,19)20/h5-8,10,16H,9H2,1-4H3,(H,17,18)(H2,15,19,20).
What are the key properties of N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide?
N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide has a molecular weight of 313.42 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide is sourced from PubChem (CID 115356169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).