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

C20H31N5O3S — CID 78848231

IUPACN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C20H31N5O3S/c1-7-21-18-11-10-16(29(27,28)25(8-2)9-3)12-19(18)22-20(26)13-17-14(4)23-24(6)15(17)5/h10-12,21H,7-9,13H2,1-6H3,(H,22,26)
InChIKeyBVANJMZGOUFHCR-UHFFFAOYSA-N
MW421.57 g/mol
LogP2.68
Rot. Bonds9

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

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 78848231) has the molecular formula C20H31N5O3S and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID78848231
Molecular FormulaC20H31N5O3S
Molecular Weight421.57 g/mol
Exact Mass421.21
IUPAC NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C20H31N5O3S/c1-7-21-18-11-10-16(29(27,28)25(8-2)9-3)12-19(18)22-20(26)13-17-14(4)23-24(6)15(17)5/h10-12,21H,7-9,13H2,1-6H3,(H,22,26)
InChIKeyBVANJMZGOUFHCR-UHFFFAOYSA-N
XLogP2.68
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 78848230
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 78852611
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
CID 78848200
N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24665858
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
CID 119680561
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
CID 120558969
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 78848202
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 25343989
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119685367
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 78848231) is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)Cc1c(C)nn(C)c1C.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is BVANJMZGOUFHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3S/c1-7-21-18-11-10-16(29(27,28)25(8-2)9-3)12-19(18)22-20(26)13-17-14(4)23-24(6)15(17)5/h10-12,21H,7-9,13H2,1-6H3,(H,22,26).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 421.57 g/mol, XLogP of 2.68, 9 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]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 78848231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).