N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

C23H23N3O4S2 — CID 99796366

IUPACN-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCCOc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccsc2)c1
InChIInChI=1S/C23H23N3O4S2/c1-3-30-18-8-6-7-16(13-18)22-14-21(24-26(22)23(27)17-11-12-31-15-17)19-9-4-5-10-20(19)25-32(2,28)29/h4-13,15,22,25H,3,14H2,1-2H3/t22-/m1/s1
InChIKeyYMQKLZFHVVIFBO-JOCHJYFZSA-N
MW469.59 g/mol
LogP4.51
Rot. Bonds7

About N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 99796366) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID99796366
Molecular FormulaC23H23N3O4S2
Molecular Weight469.59 g/mol
Exact Mass469.11
IUPAC NameN-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCCOc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccsc2)c1
InChIInChI=1S/C23H23N3O4S2/c1-3-30-18-8-6-7-16(13-18)22-14-21(24-26(22)23(27)17-11-12-31-15-17)19-9-4-5-10-20(19)25-32(2,28)29/h4-13,15,22,25H,3,14H2,1-2H3/t22-/m1/s1
InChIKeyYMQKLZFHVVIFBO-JOCHJYFZSA-N
XLogP4.51
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide with MolForge

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Related Compounds

N-[2-[3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 86807953
N-[2-[(3S)-2-acetyl-3-(3-ethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]benzenesulfonamide
CID 99796331
N-[2-[3-(3-methylphenyl)-2-propanoyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71906254
N-[2-[3-(3-methylphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71946477
N-[2-(2-propanoyl-3-quinoxalin-6-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
CID 42649622
[(3S)-3-(3-ethoxyphenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 136748592
N-[2-[(3R)-3-(3,5-dimethoxyphenyl)-2-(furan-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 100663544
N-[2-[2-(furan-2-carbonyl)-3-(3-methylphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 71848033
N-[2-[(3S)-2-benzoyl-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41062412
N-[2-[(3R)-3-(4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 41418321
N-[2-[(3S)-3-(3-chloro-4-fluorophenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 124888060
N-[2-[3-(3-fluorophenyl)-2-(2-methylpropanoyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 75454338

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CID 99796366) is N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is CCOc1cccc([C@H]2CC(c3ccccc3NS(C)(=O)=O)=NN2C(=O)c2ccsc2)c1.
What is the InChIKey of N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is YMQKLZFHVVIFBO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c1-3-30-18-8-6-7-16(13-18)22-14-21(24-26(22)23(27)17-11-12-31-15-17)19-9-4-5-10-20(19)25-32(2,28)29/h4-13,15,22,25H,3,14H2,1-2H3/t22-/m1/s1.
What are the key properties of N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 469.59 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-(3-ethoxyphenyl)-2-(thiophene-3-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 99796366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).