N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

C19H23N3O3S2 — CID 4225471

IUPACN-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCC(C)(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1cccs1
InChIInChI=1S/C19H23N3O3S2/c1-19(2,3)18(23)22-16(17-6-5-11-26-17)12-15(20-22)13-7-9-14(10-8-13)21-27(4,24)25/h5-11,16,21H,12H2,1-4H3
InChIKeyOFKMRGVQTWYPPD-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.84
Rot. Bonds4

About N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide

N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (PubChem CID 4225471) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
PubChem CID4225471
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC NameN-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
SMILESCC(C)(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1cccs1
InChIInChI=1S/C19H23N3O3S2/c1-19(2,3)18(23)22-16(17-6-5-11-26-17)12-15(20-22)13-7-9-14(10-8-13)21-27(4,24)25/h5-11,16,21H,12H2,1-4H3
InChIKeyOFKMRGVQTWYPPD-UHFFFAOYSA-N
XLogP3.84
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-(1-(methylsulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)ethanesulfonamide
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CID 4092587
N-(4-(1-(methylsulfonyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide
CID 4134680
N-{4-[1-(2-Methylbenzoyl)-5-(thiophen-2-YL)-4,5-dihydro-1H-pyrazol-3-YL]phenyl}methanesulfonamide
CID 5066214
N-[4-(1-benzoyl-5-thien-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]methanesulfonamide
CID 5199866
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide (CID 4225471) is N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is CC(C)(C)C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1cccs1.
What is the InChIKey of N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is OFKMRGVQTWYPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-19(2,3)18(23)22-16(17-6-5-11-26-17)12-15(20-22)13-7-9-14(10-8-13)21-27(4,24)25/h5-11,16,21H,12H2,1-4H3.
What are the key properties of N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide?
N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 405.55 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,2-dimethylpropanoyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 4225471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).