N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C22H32N4O3S — CID 30954787

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1cc(C)n(CCCNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C22H32N4O3S/c1-18-17-19(2)26(24-18)16-6-13-23-22(27)12-9-20-7-10-21(11-8-20)30(28,29)25-14-4-3-5-15-25/h7-8,10-11,17H,3-6,9,12-16H2,1-2H3,(H,23,27)
InChIKeyDAQUMUYODUFFMS-UHFFFAOYSA-N
MW432.59 g/mol
LogP2.81
Rot. Bonds9

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 30954787) has the molecular formula C22H32N4O3S and a molecular weight of 432.59 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID30954787
Molecular FormulaC22H32N4O3S
Molecular Weight432.59 g/mol
Exact Mass432.22
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1cc(C)n(CCCNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
InChIInChI=1S/C22H32N4O3S/c1-18-17-19(2)26(24-18)16-6-13-23-22(27)12-9-20-7-10-21(11-8-20)30(28,29)25-14-4-3-5-15-25/h7-8,10-11,17H,3-6,9,12-16H2,1-2H3,(H,23,27)
InChIKeyDAQUMUYODUFFMS-UHFFFAOYSA-N
XLogP2.81
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 30659870
N-(2-acetamidoethyl)-3-[4-(azepan-1-ylsulfonyl)phenyl]propanamide
CID 9204753
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55735202
N-(3-aminopropyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119405466
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(benzimidazol-1-yl)propyl]propanamide
CID 24553342
N-(4-morpholin-4-ylbutyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55742177
N-(2-benzylsulfanylethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27861128
3-[4-(propylsulfamoyl)phenyl]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]propanamide
CID 100796461
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43059010
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 78880674
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 30954787) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is Cc1cc(C)n(CCCNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is DAQUMUYODUFFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S/c1-18-17-19(2)26(24-18)16-6-13-23-22(27)12-9-20-7-10-21(11-8-20)30(28,29)25-14-4-3-5-15-25/h7-8,10-11,17H,3-6,9,12-16H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 432.59 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 30954787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).