3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide

C14H17N3O5S — CID 167746957

IUPAC3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccn[nH]2)ccc1OC(C)C
InChIInChI=1S/C14H17N3O5S/c1-9(2)22-11-5-4-10(8-12(11)21-3)14(18)17-23(19,20)13-6-7-15-16-13/h4-9H,1-3H3,(H,15,16)(H,17,18)
InChIKeyQOPQLFHWVYYJJZ-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.32
Rot. Bonds6

About 3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide

3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide (PubChem CID 167746957) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is 3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide
PubChem CID167746957
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Name3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide
SMILESCOc1cc(C(=O)NS(=O)(=O)c2ccn[nH]2)ccc1OC(C)C
InChIInChI=1S/C14H17N3O5S/c1-9(2)22-11-5-4-10(8-12(11)21-3)14(18)17-23(19,20)13-6-7-15-16-13/h4-9H,1-3H3,(H,15,16)(H,17,18)
InChIKeyQOPQLFHWVYYJJZ-UHFFFAOYSA-N
XLogP1.32
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
N-(3-hydroxy-2-pyridinyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 46663784
4-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzamide
CID 55447326
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
N-(4-hydroxybutan-2-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 71847725
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(1H-pyrazol-5-yl)benzamide
CID 47083217
2-methoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)pyridine-3-carbohydrazide
CID 55559824
N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691685
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide?
The IUPAC name of 3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide (CID 167746957) is 3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide.
What is the SMILES notation for 3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide?
The canonical SMILES for 3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide is COc1cc(C(=O)NS(=O)(=O)c2ccn[nH]2)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide?
The InChIKey is QOPQLFHWVYYJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-9(2)22-11-5-4-10(8-12(11)21-3)14(18)17-23(19,20)13-6-7-15-16-13/h4-9H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide?
3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide has a molecular weight of 339.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propan-2-yloxy-N-(1H-pyrazol-5-ylsulfonyl)benzamide is sourced from PubChem (CID 167746957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).