N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide

C23H28N4O3S — CID 31367915

IUPACN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-n3nccc3C)cc2)cc1
InChIInChI=1S/C23H28N4O3S/c1-5-26(6-2)31(29,30)22-13-9-19(10-14-22)18(4)25-23(28)20-7-11-21(12-8-20)27-17(3)15-16-24-27/h7-16,18H,5-6H2,1-4H3,(H,25,28)/t18-/m0/s1
InChIKeyLOOMBADAMQNWSE-SFHVURJKSA-N
MW440.57 g/mol
LogP3.70
Rot. Bonds8

About N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide

N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide (PubChem CID 31367915) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide
PubChem CID31367915
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-n3nccc3C)cc2)cc1
InChIInChI=1S/C23H28N4O3S/c1-5-26(6-2)31(29,30)22-13-9-19(10-14-22)18(4)25-23(28)20-7-11-21(12-8-20)27-17(3)15-16-24-27/h7-16,18H,5-6H2,1-4H3,(H,25,28)/t18-/m0/s1
InChIKeyLOOMBADAMQNWSE-SFHVURJKSA-N
XLogP3.70
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9185649
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55884402
4-(diethylsulfamoyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 46680020
5-bromo-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]pyridine-3-carboxamide
CID 17448990
N-[(1R)-1-(furan-2-yl)ethyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9482283
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 31526246
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methylbut-2-enamide
CID 31540675
N,N-dimethyl-3-[[[4-(5-methylpyrazol-1-yl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 34029254
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2,6-difluorobenzamide
CID 51151532
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The IUPAC name of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide (CID 31367915) is N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The canonical SMILES for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(-n3nccc3C)cc2)cc1.
What is the InChIKey of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
The InChIKey is LOOMBADAMQNWSE-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-5-26(6-2)31(29,30)22-13-9-19(10-14-22)18(4)25-23(28)20-7-11-21(12-8-20)27-17(3)15-16-24-27/h7-16,18H,5-6H2,1-4H3,(H,25,28)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide?
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide has a molecular weight of 440.57 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(5-methylpyrazol-1-yl)benzamide is sourced from PubChem (CID 31367915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).