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

C17H19N3O3S2 — CID 2990246

IUPACN-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
SMILESCCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)CC1c1cccs1
InChIInChI=1S/C17H19N3O3S2/c1-3-17(21)20-15(16-8-5-9-24-16)11-14(18-20)12-6-4-7-13(10-12)19-25(2,22)23/h4-10,15,19H,3,11H2,1-2H3
InChIKeyMQKAHDNCPBVXQT-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.21
Rot. Bonds5

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

N-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide (PubChem CID 2990246) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
PubChem CID2990246
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC NameN-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide
SMILESCCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)CC1c1cccs1
InChIInChI=1S/C17H19N3O3S2/c1-3-17(21)20-15(16-8-5-9-24-16)11-14(18-20)12-6-4-7-13(10-12)19-25(2,22)23/h4-10,15,19H,3,11H2,1-2H3
InChIKeyMQKAHDNCPBVXQT-UHFFFAOYSA-N
XLogP3.21
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide (CID 2990246) is N-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide is CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)CC1c1cccs1.
What is the InChIKey of N-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is MQKAHDNCPBVXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-3-17(21)20-15(16-8-5-9-24-16)11-14(18-20)12-6-4-7-13(10-12)19-25(2,22)23/h4-10,15,19H,3,11H2,1-2H3.
What are the key properties of N-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide?
N-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-propanoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 2990246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).