N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C19H26N4O4S — CID 55474079

IUPACN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
InChIInChI=1S/C19H26N4O4S/c1-13-16(14(2)22(3)21-13)7-9-19(25)20-17-12-15(6-8-18(17)24)28(26,27)23-10-4-5-11-23/h6,8,12,24H,4-5,7,9-11H2,1-3H3,(H,20,25)
InChIKeyATYOPXWADODLLQ-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.10
Rot. Bonds6

About N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 55474079) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID55474079
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC NameN-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
InChIInChI=1S/C19H26N4O4S/c1-13-16(14(2)22(3)21-13)7-9-19(25)20-17-12-15(6-8-18(17)24)28(26,27)23-10-4-5-11-23/h6,8,12,24H,4-5,7,9-11H2,1-3H3,(H,20,25)
InChIKeyATYOPXWADODLLQ-UHFFFAOYSA-N
XLogP2.10
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30037448
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33038542
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60561901
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methoxyphenyl)propanamide
CID 55370121
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(3-methoxyphenyl)propanamide
CID 24543222
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33078980
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 78848230
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
4-(4-ethylphenyl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 29264882
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 27672602
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide
CID 55823578

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 55474079) is N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O.
What is the InChIKey of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is ATYOPXWADODLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-13-16(14(2)22(3)21-13)7-9-19(25)20-17-12-15(6-8-18(17)24)28(26,27)23-10-4-5-11-23/h6,8,12,24H,4-5,7,9-11H2,1-3H3,(H,20,25).
What are the key properties of N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 406.51 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55474079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).