4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide

C20H22N4O4S — CID 66589647

IUPAC4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
SMILESCOc1cccc(CCc2cc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)n[nH]2)c1
InChIInChI=1S/C20H22N4O4S/c1-28-18-5-3-4-14(12-18)6-9-17-13-19(23-22-17)21-20(25)15-7-10-16(11-8-15)24-29(2,26)27/h3-5,7-8,10-13,24H,6,9H2,1-2H3,(H2,21,22,23,25)
InChIKeyMMYHYVFABXWZGF-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.83
Rot. Bonds8

About 4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide

4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide (PubChem CID 66589647) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
PubChem CID66589647
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
SMILESCOc1cccc(CCc2cc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)n[nH]2)c1
InChIInChI=1S/C20H22N4O4S/c1-28-18-5-3-4-14(12-18)6-9-17-13-19(23-22-17)21-20(25)15-7-10-16(11-8-15)24-29(2,26)27/h3-5,7-8,10-13,24H,6,9H2,1-2H3,(H2,21,22,23,25)
InChIKeyMMYHYVFABXWZGF-UHFFFAOYSA-N
XLogP2.83
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
CID 66589783
6-cyano-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 66589912
[5-[[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]-2-pyridinyl] hydrogen carbonate
CID 67188115
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-phenylpyrimidine-5-carboxamide
CID 86972575
N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-N'-methylsulfonylbenzohydrazide
CID 90778691
4-fluoro-N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]benzamide
CID 113013432
N-(5-ethyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47423285
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3S)-3,5-dimethylpiperazin-1-yl]benzamide
CID 130413665
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanesulfonamide
CID 113028442
N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423627
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]-3,4-dimethylbenzamide
CID 113028411

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide (CID 66589647) is 4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide is COc1cccc(CCc2cc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)n[nH]2)c1.
What is the InChIKey of 4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide?
The InChIKey is MMYHYVFABXWZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-28-18-5-3-4-14(12-18)6-9-17-13-19(23-22-17)21-20(25)15-7-10-16(11-8-15)24-29(2,26)27/h3-5,7-8,10-13,24H,6,9H2,1-2H3,(H2,21,22,23,25).
What are the key properties of 4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide?
4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide has a molecular weight of 414.49 g/mol, XLogP of 2.83, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 66589647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).