4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide

C19H28N4O3S — CID 86930090

IUPAC4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C19H28N4O3S/c1-6-23(7-2)27(25,26)17-10-8-16(9-11-17)19(24)20-13-12-18-14(3)21-22(5)15(18)4/h8-11H,6-7,12-13H2,1-5H3,(H,20,24)
InChIKeyFUPVBRGBGRUBRU-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.04
Rot. Bonds8

About 4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide

4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (PubChem CID 86930090) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
PubChem CID86930090
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC Name4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C19H28N4O3S/c1-6-23(7-2)27(25,26)17-10-8-16(9-11-17)19(24)20-13-12-18-14(3)21-22(5)15(18)4/h8-11H,6-7,12-13H2,1-5H3,(H,20,24)
InChIKeyFUPVBRGBGRUBRU-UHFFFAOYSA-N
XLogP2.04
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254
4-(diethylsulfamoyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110395099
4-(diethylsulfamoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284882
3-(dimethylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110444418
3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110442056
1-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-6-carboxamide
CID 112530174
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
CID 21008890
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 78848230
3,5-dimethoxy-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768030
4-(diethylsulfamoyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
CID 110642029
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide (CID 86930090) is 4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is FUPVBRGBGRUBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-6-23(7-2)27(25,26)17-10-8-16(9-11-17)19(24)20-13-12-18-14(3)21-22(5)15(18)4/h8-11H,6-7,12-13H2,1-5H3,(H,20,24).
What are the key properties of 4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide?
4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 392.53 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 86930090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).