N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

C24H30N4O3S — CID 46466291

IUPACN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)cc2)n1
InChIInChI=1S/C24H30N4O3S/c1-16-13-21(15-23(19(16)4)32(30,31)27(5)6)24(29)25-12-11-20-7-9-22(10-8-20)28-18(3)14-17(2)26-28/h7-10,13-15H,11-12H2,1-6H3,(H,25,29)
InChIKeyOXOSIPPHACQOLY-UHFFFAOYSA-N
MW454.60 g/mol
LogP3.33
Rot. Bonds7

About N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (PubChem CID 46466291) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
PubChem CID46466291
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)cc2)n1
InChIInChI=1S/C24H30N4O3S/c1-16-13-21(15-23(19(16)4)32(30,31)27(5)6)24(29)25-12-11-20-7-9-22(10-8-20)28-18(3)14-17(2)26-28/h7-10,13-15H,11-12H2,1-6H3,(H,25,29)
InChIKeyOXOSIPPHACQOLY-UHFFFAOYSA-N
XLogP3.33
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(dimethylsulfamoyl)-4,5-dimethyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 33156547
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 55707242
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
N-[2-(diethylamino)ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 30550464
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55723880
3-(dimethylsulfamoyl)-N-[2-[di(propan-2-yl)amino]ethyl]-4,5-dimethylbenzamide
CID 46522058
N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 46476253
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55707132
4-(3,5-dimethylpyrazol-1-yl)-N-[2-[di(propan-2-yl)amino]ethyl]benzamide
CID 26197510
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 46476246
3-(dimethylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]-4,5-dimethylbenzamide
CID 55685521
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55707293

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide (CID 46466291) is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is Cc1cc(C)n(-c2ccc(CCNC(=O)c3cc(C)c(C)c(S(=O)(=O)N(C)C)c3)cc2)n1.
What is the InChIKey of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
The InChIKey is OXOSIPPHACQOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-16-13-21(15-23(19(16)4)32(30,31)27(5)6)24(29)25-12-11-20-7-9-22(10-8-20)28-18(3)14-17(2)26-28/h7-10,13-15H,11-12H2,1-6H3,(H,25,29).
What are the key properties of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide?
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide has a molecular weight of 454.60 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide is sourced from PubChem (CID 46466291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).