3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide

C20H25N3O5S2 — CID 55959827

IUPAC3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C20H25N3O5S2/c1-2-29(25,26)22-17-8-6-16(7-9-17)21-20(24)14-5-15-3-12-19(13-4-15)30(27,28)23-18-10-11-18/h3-4,6-9,12-13,18,22-23H,2,5,10-11,14H2,1H3,(H,21,24)
InChIKeyAUSXDITXSNXXKH-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.46
Rot. Bonds10

About 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide (PubChem CID 55959827) has the molecular formula C20H25N3O5S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide
PubChem CID55959827
Molecular FormulaC20H25N3O5S2
Molecular Weight451.57 g/mol
Exact Mass451.12
IUPAC Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C20H25N3O5S2/c1-2-29(25,26)22-17-8-6-16(7-9-17)21-20(24)14-5-15-3-12-19(13-4-15)30(27,28)23-18-10-11-18/h3-4,6-9,12-13,18,22-23H,2,5,10-11,14H2,1H3,(H,21,24)
InChIKeyAUSXDITXSNXXKH-UHFFFAOYSA-N
XLogP2.46
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968217
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557830
N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
CID 79191548
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375
3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 99968141
N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 30829010
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
N-cyclopropyl-4-[3-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 56504390
2-(cyclopropylamino)-N-[4-(ethylsulfonylamino)phenyl]acetamide
CID 60945147
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,5-difluorophenyl)propanamide
CID 92645802

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide (CID 55959827) is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide is CCS(=O)(=O)Nc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)cc1.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide?
The InChIKey is AUSXDITXSNXXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S2/c1-2-29(25,26)22-17-8-6-16(7-9-17)21-20(24)14-5-15-3-12-19(13-4-15)30(27,28)23-18-10-11-18/h3-4,6-9,12-13,18,22-23H,2,5,10-11,14H2,1H3,(H,21,24).
What are the key properties of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide?
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide has a molecular weight of 451.57 g/mol, XLogP of 2.46, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide is sourced from PubChem (CID 55959827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).