N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C24H37N5O3S — CID 30037448

IUPACN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C24H37N5O3S/c1-6-28(7-2)23-13-11-20(33(31,32)29-15-9-8-10-16-29)17-22(23)25-24(30)14-12-21-18(3)26-27(5)19(21)4/h11,13,17H,6-10,12,14-16H2,1-5H3,(H,25,30)
InChIKeyBDHXDWQKBYTSSW-UHFFFAOYSA-N
MW475.66 g/mol
LogP3.63
Rot. Bonds9

About N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 30037448) has the molecular formula C24H37N5O3S and a molecular weight of 475.66 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID30037448
Molecular FormulaC24H37N5O3S
Molecular Weight475.66 g/mol
Exact Mass475.26
IUPAC NameN-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C24H37N5O3S/c1-6-28(7-2)23-13-11-20(33(31,32)29-15-9-8-10-16-29)17-22(23)25-24(30)14-12-21-18(3)26-27(5)19(21)4/h11,13,17H,6-10,12,14-16H2,1-5H3,(H,25,30)
InChIKeyBDHXDWQKBYTSSW-UHFFFAOYSA-N
XLogP3.63
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.66
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55474079
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33038542
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-propylsulfanylacetamide
CID 55876228
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33078980
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide
CID 25336498
2-[2-(diethylamino)-5-piperidin-1-ylsulfonylanilino]-N-ethylacetamide
CID 17393393
N-[5-chloro-2-(dimethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131890592
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-(2-fluorophenyl)propanamide
CID 55363274
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(furan-2-yl)propanamide
CID 33297922
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3547247
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605980
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 30037448) is N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CCc1c(C)nn(C)c1C.
What is the InChIKey of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is BDHXDWQKBYTSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O3S/c1-6-28(7-2)23-13-11-20(33(31,32)29-15-9-8-10-16-29)17-22(23)25-24(30)14-12-21-18(3)26-27(5)19(21)4/h11,13,17H,6-10,12,14-16H2,1-5H3,(H,25,30).
What are the key properties of N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 475.66 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 30037448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).