3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C17H27N3O4S — CID 113122472

IUPAC3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C
InChIInChI=1S/C17H27N3O4S/c1-13(21)20(17(2,3)4)12-10-16(22)19-11-9-14-5-7-15(8-6-14)25(18,23)24/h5-8H,9-12H2,1-4H3,(H,19,22)(H2,18,23,24)
InChIKeyLAHMQOAQXCWHKP-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.03
Rot. Bonds7

About 3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 113122472) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID113122472
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C
InChIInChI=1S/C17H27N3O4S/c1-13(21)20(17(2,3)4)12-10-16(22)19-11-9-14-5-7-15(8-6-14)25(18,23)24/h5-8H,9-12H2,1-4H3,(H,19,22)(H2,18,23,24)
InChIKeyLAHMQOAQXCWHKP-UHFFFAOYSA-N
XLogP1.03
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113115963
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113117302
N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide
CID 113056171
3-[(2-bromophenyl)methyl-methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 55482671
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
4-(4-ethylphenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 24634981
3-(2,5-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027627
3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 46685647
2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113160044
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 113122472) is 3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is CC(=O)N(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C(C)(C)C.
What is the InChIKey of 3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is LAHMQOAQXCWHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-13(21)20(17(2,3)4)12-10-16(22)19-11-9-14-5-7-15(8-6-14)25(18,23)24/h5-8H,9-12H2,1-4H3,(H,19,22)(H2,18,23,24).
What are the key properties of 3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 369.49 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 113122472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).