N-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide

C17H24N4O3S — CID 51130649

IUPACN-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
SMILESCC(C)c1ccc(C(C)NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1
InChIInChI=1S/C17H24N4O3S/c1-12(2)14-4-6-15(7-5-14)13(3)20-17(22)8-9-21-11-16(10-19-21)25(18,23)24/h4-7,10-13H,8-9H2,1-3H3,(H,20,22)(H2,18,23,24)
InChIKeyAJWWBXNJSMTWFB-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.92
Rot. Bonds7

About N-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide

N-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide (PubChem CID 51130649) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
PubChem CID51130649
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
SMILESCC(C)c1ccc(C(C)NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1
InChIInChI=1S/C17H24N4O3S/c1-12(2)14-4-6-15(7-5-14)13(3)20-17(22)8-9-21-11-16(10-19-21)25(18,23)24/h4-7,10-13H,8-9H2,1-3H3,(H,20,22)(H2,18,23,24)
InChIKeyAJWWBXNJSMTWFB-UHFFFAOYSA-N
XLogP1.92
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
N-[2-(4-methylphenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307103
N-[[3-(3-benzyl-5-oxopyrrolidin-3-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836105
2-[3-[[(1-Methylpyrazol-4-yl)sulfonylamino]methyl]phenyl]-3-phenylpropanamide
CID 56836596
N-[2-(4-methylphenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 5308465
N-[1-[4-[2-(1-methylpyrazol-4-yl)ethynyl]phenyl]propan-2-yl]acetamide
CID 68191413
US9580411, Example 82
CID 73507644
US11530200, Example 24
CID 156064844
US9670210, Example 114 (1R,2S) inverted question markN-({4-(methoxymethyl)-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}methyl)-2-phenylcyclopropanamine
CID 118302811
US9670157, 103 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-benzyl]-1H-pyrazole-4-carboxylic acid 4-(1-amino-cyclopropyl)-benzylamide
CID 134128259
1-ethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6470517

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The IUPAC name of N-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide (CID 51130649) is N-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide is CC(C)c1ccc(C(C)NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1.
What is the InChIKey of N-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The InChIKey is AJWWBXNJSMTWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-12(2)14-4-6-15(7-5-14)13(3)20-17(22)8-9-21-11-16(10-19-21)25(18,23)24/h4-7,10-13H,8-9H2,1-3H3,(H,20,22)(H2,18,23,24).
What are the key properties of N-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
N-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide has a molecular weight of 364.47 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide is sourced from PubChem (CID 51130649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).