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

C23H23N3O5S2 — CID 3492005

IUPACN-[4-[3-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(C2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2cccs2)cc1OC
InChIInChI=1S/C23H23N3O5S2/c1-30-20-11-8-16(13-21(20)31-2)19-14-18(24-26(19)23(27)22-5-4-12-32-22)15-6-9-17(10-7-15)25-33(3,28)29/h4-13,19,25H,14H2,1-3H3
InChIKeyXJUUSNKAQPBQAB-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.13
Rot. Bonds7

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

N-[4-[3-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 3492005) has the molecular formula C23H23N3O5S2 and a molecular weight of 485.59 g/mol. Its IUPAC name is N-[4-[3-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID3492005
Molecular FormulaC23H23N3O5S2
Molecular Weight485.59 g/mol
Exact Mass485.11
IUPAC NameN-[4-[3-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCOc1ccc(C2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2cccs2)cc1OC
InChIInChI=1S/C23H23N3O5S2/c1-30-20-11-8-16(13-21(20)31-2)19-14-18(24-26(19)23(27)22-5-4-12-32-22)15-6-9-17(10-7-15)25-33(3,28)29/h4-13,19,25H,14H2,1-3H3
InChIKeyXJUUSNKAQPBQAB-UHFFFAOYSA-N
XLogP4.13
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[2-benzoyl-3-(2,3-dimethoxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 4002152
[3-(3,4-Dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 2953417
1-[3-(3,4-Dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-fluoroanilino)ethanone
CID 4884800
N-{3-[1-(4-Methoxybenzoyl)-5-(thiophen-2-YL)-4,5-dihydro-1H-pyrazol-3-YL]phenyl}methanesulfonamide
CID 5093536
4-[3-(3,4-Dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
CID 168289679
(3-(3,4-dimethoxyphenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)(thiophen-2-yl)methanone
CID 2964802
N-[4-[3-(2-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 3655356
N-[4-[3-(2-methoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 4541031
N-{4-[1-(2-methoxybenzoyl)-5-thien-2-yl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
CID 4126664
N-{4-[1-(4-Methoxybenzoyl)-5-(thiophen-2-YL)-4,5-dihydro-1H-pyrazol-3-YL]phenyl}methanesulfonamide
CID 4175833
[3-(3,4-dimethoxyphenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl](thiophen-2-yl)methanone
CID 3734456
N-[4-[[5-[4-(difluoromethoxy)-3-methoxyphenyl]-4-ethyl-6-oxo-4,5-dihydropyridazin-1-yl]methyl]phenyl]thiophene-2-carboxamide
CID 17909224

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CID 3492005) is N-[4-[3-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is COc1ccc(C2CC(c3ccc(NS(C)(=O)=O)cc3)=NN2C(=O)c2cccs2)cc1OC.
What is the InChIKey of N-[4-[3-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is XJUUSNKAQPBQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5S2/c1-30-20-11-8-16(13-21(20)31-2)19-14-18(24-26(19)23(27)22-5-4-12-32-22)15-6-9-17(10-7-15)25-33(3,28)29/h4-13,19,25H,14H2,1-3H3.
What are the key properties of N-[4-[3-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
N-[4-[3-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 485.59 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3,4-dimethoxyphenyl)-2-(thiophene-2-carbonyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 3492005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).