3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C18H27N3O5S — CID 113117302

IUPAC3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC1CCCO1
InChIInChI=1S/C18H27N3O5S/c1-14(22)21(13-16-3-2-12-26-16)11-9-18(23)20-10-8-15-4-6-17(7-5-15)27(19,24)25/h4-7,16H,2-3,8-13H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyZZYNYGRUZZWEMV-UHFFFAOYSA-N
MW397.50 g/mol
LogP0.41
Rot. Bonds9

About 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 113117302) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID113117302
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Name3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(=O)N(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC1CCCO1
InChIInChI=1S/C18H27N3O5S/c1-14(22)21(13-16-3-2-12-26-16)11-9-18(23)20-10-8-15-4-6-17(7-5-15)27(19,24)25/h4-7,16H,2-3,8-13H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyZZYNYGRUZZWEMV-UHFFFAOYSA-N
XLogP0.41
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113117294
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
CID 113117320
2-(oxolan-2-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60769664
3-[acetyl(2-methylpropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113115963
2-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113160229
3-[acetyl(tert-butyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 113122472
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053469
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 71993848
3-[(2R)-oxolan-2-yl]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 94097094
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053462
2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113160044
N-(oxolan-2-ylmethyl)-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113105545

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 113117302) is 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is CC(=O)N(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CC1CCCO1.
What is the InChIKey of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is ZZYNYGRUZZWEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-14(22)21(13-16-3-2-12-26-16)11-9-18(23)20-10-8-15-4-6-17(7-5-15)27(19,24)25/h4-7,16H,2-3,8-13H2,1H3,(H,20,23)(H2,19,24,25).
What are the key properties of 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 397.50 g/mol, XLogP of 0.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(oxolan-2-ylmethyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 113117302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).