N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide

C16H26N4O4S — CID 51135786

IUPACN-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide
SMILESCC(c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C16H26N4O4S/c1-11(12-7-6-8-13(9-12)25(17,23)24)20(5)10-14(21)18-15(22)19-16(2,3)4/h6-9,11H,10H2,1-5H3,(H2,17,23,24)(H2,18,19,21,22)
InChIKeyBHUZMULSLRABMC-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.95
Rot. Bonds5

About N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide

N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide (PubChem CID 51135786) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide
PubChem CID51135786
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC NameN-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide
SMILESCC(c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C16H26N4O4S/c1-11(12-7-6-8-13(9-12)25(17,23)24)20(5)10-14(21)18-15(22)19-16(2,3)4/h6-9,11H,10H2,1-5H3,(H2,17,23,24)(H2,18,19,21,22)
InChIKeyBHUZMULSLRABMC-UHFFFAOYSA-N
XLogP0.95
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide (CID 51135786) is N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide is CC(c1cccc(S(N)(=O)=O)c1)N(C)CC(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide?
The InChIKey is BHUZMULSLRABMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-11(12-7-6-8-13(9-12)25(17,23)24)20(5)10-14(21)18-15(22)19-16(2,3)4/h6-9,11H,10H2,1-5H3,(H2,17,23,24)(H2,18,19,21,22).
What are the key properties of N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide?
N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide has a molecular weight of 370.48 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[methyl-[1-(3-sulfamoylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 51135786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).