3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C25H30N4O5S — CID 19236968

IUPAC3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCCCCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OCC
InChIInChI=1S/C25H30N4O5S/c1-3-5-17-34-22-13-7-19(18-23(22)33-4-2)8-14-24(30)28-20-9-11-21(12-10-20)35(31,32)29-25-26-15-6-16-27-25/h6-7,9-13,15-16,18H,3-5,8,14,17H2,1-2H3,(H,28,30)(H,26,27,29)
InChIKeyICVVEEHQGGTTBP-UHFFFAOYSA-N
MW498.61 g/mol
LogP4.43
Rot. Bonds13

About 3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 19236968) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID19236968
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCCCCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OCC
InChIInChI=1S/C25H30N4O5S/c1-3-5-17-34-22-13-7-19(18-23(22)33-4-2)8-14-24(30)28-20-9-11-21(12-10-20)35(31,32)29-25-26-15-6-16-27-25/h6-7,9-13,15-16,18H,3-5,8,14,17H2,1-2H3,(H,28,30)(H,26,27,29)
InChIKeyICVVEEHQGGTTBP-UHFFFAOYSA-N
XLogP4.43
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide
CID 43885129
4-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]benzenesulfonic acid
CID 4143684
3-(4-propan-2-ylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19221516
4-(2-bromo-4-methylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 19202578
4-(2-ethoxyphenoxy)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]butanamide
CID 26267069
3-(3-amino-4-butoxyphenyl)-N-(4-methylphenyl)propanamide
CID 82153712
3-(4-butoxy-3-ethoxyphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 2071769
N-(4-butoxyphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 19220649
2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 2597985
4-(4-propylphenoxy)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19191432
4-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 2072355
N-(1,3-benzothiazol-2-yl)-3-(4-butoxy-3-ethoxyphenyl)propanamide
CID 2071811

Frequently Asked Questions

What is the IUPAC name of 3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 19236968) is 3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is CCCCOc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OCC.
What is the InChIKey of 3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is ICVVEEHQGGTTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-3-5-17-34-22-13-7-19(18-23(22)33-4-2)8-14-24(30)28-20-9-11-21(12-10-20)35(31,32)29-25-26-15-6-16-27-25/h6-7,9-13,15-16,18H,3-5,8,14,17H2,1-2H3,(H,28,30)(H,26,27,29).
What are the key properties of 3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 498.61 g/mol, XLogP of 4.43, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butoxy-3-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 19236968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).