N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C21H33N5O3S — CID 78848230

IUPACN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C21H33N5O3S/c1-7-22-19-12-10-17(30(28,29)26(8-2)9-3)14-20(19)23-21(27)13-11-18-15(4)24-25(6)16(18)5/h10,12,14,22H,7-9,11,13H2,1-6H3,(H,23,27)
InChIKeyAYXBDXKXVUVPRP-UHFFFAOYSA-N
MW435.59 g/mol
LogP3.07
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 78848230) has the molecular formula C21H33N5O3S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID78848230
Molecular FormulaC21H33N5O3S
Molecular Weight435.59 g/mol
Exact Mass435.23
IUPAC NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C21H33N5O3S/c1-7-22-19-12-10-17(30(28,29)26(8-2)9-3)14-20(19)23-21(27)13-11-18-15(4)24-25(6)16(18)5/h10,12,14,22H,7-9,11,13H2,1-6H3,(H,23,27)
InChIKeyAYXBDXKXVUVPRP-UHFFFAOYSA-N
XLogP3.07
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78848231
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
CID 119680561
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
CID 120558969
N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 30037448
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55474079
4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86930090
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 78848202
N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17483732
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 78852611
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 78848230) is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCc1c(C)nn(C)c1C.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is AYXBDXKXVUVPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3S/c1-7-22-19-12-10-17(30(28,29)26(8-2)9-3)14-20(19)23-21(27)13-11-18-15(4)24-25(6)16(18)5/h10,12,14,22H,7-9,11,13H2,1-6H3,(H,23,27).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 435.59 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 78848230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).