3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

C23H29N3O3S — CID 56557830

IUPAC3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCC1CCN(c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)cc2)C1
InChIInChI=1S/C23H29N3O3S/c1-17-14-15-26(16-17)21-9-7-19(8-10-21)24-23(27)13-4-18-2-11-22(12-3-18)30(28,29)25-20-5-6-20/h2-3,7-12,17,20,25H,4-6,13-16H2,1H3,(H,24,27)
InChIKeyDXMBYHKMTNDJEA-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.54
Rot. Bonds8

About 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (PubChem CID 56557830) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
PubChem CID56557830
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCC1CCN(c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)cc2)C1
InChIInChI=1S/C23H29N3O3S/c1-17-14-15-26(16-17)21-9-7-19(8-10-21)24-23(27)13-4-18-2-11-22(12-3-18)30(28,29)25-20-5-6-20/h2-3,7-12,17,20,25H,4-6,13-16H2,1H3,(H,24,27)
InChIKeyDXMBYHKMTNDJEA-UHFFFAOYSA-N
XLogP3.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 55959827
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 99968217
3-[4-(methylsulfamoyl)phenyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 46521495
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
3-[4-(cyclohexylsulfamoyl)phenyl]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 99968141
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55798631
N-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenesulfonamide
CID 114680950
3-(2-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56556359
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-methylsulfonylphenyl)propanamide
CID 71809774
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 31826579
4-(4-amino-3-methylpiperidin-1-yl)-N-cyclopropylbenzenesulfonamide
CID 79874852
3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557578

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (CID 56557830) is 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is CC1CCN(c2ccc(NC(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)cc2)C1.
What is the InChIKey of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is DXMBYHKMTNDJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-17-14-15-26(16-17)21-9-7-19(8-10-21)24-23(27)13-4-18-2-11-22(12-3-18)30(28,29)25-20-5-6-20/h2-3,7-12,17,20,25H,4-6,13-16H2,1H3,(H,24,27).
What are the key properties of 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 427.57 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 56557830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).