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

C17H24N4O3S — CID 52525075

IUPACN-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
SMILESCC(C)c1ccc([C@H](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)/t13-/m0/s1
InChIKeyAJWWBXNJSMTWFB-ZDUSSCGKSA-N
MW364.47 g/mol
LogP1.92
Rot. Bonds7

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

N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide (PubChem CID 52525075) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
PubChem CID52525075
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
SMILESCC(C)c1ccc([C@H](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)/t13-/m0/s1
InChIKeyAJWWBXNJSMTWFB-ZDUSSCGKSA-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

3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 9373222
3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19542099
N-[1-(4-chlorophenyl)ethyl]-4-(4-nitropyrazol-1-yl)butanamide
CID 178068162
4-oxo-4-phenyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]butanamide
CID 41023431
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 95316294
N-[1-(4-sulfamoylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 42905640
3-cyclopentyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 8895164
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
(2R)-2-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
CID 119369224
N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41358567

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide (CID 52525075) is N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide is CC(C)c1ccc([C@H](C)NC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1.
What is the InChIKey of N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The InChIKey is AJWWBXNJSMTWFB-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
N-[(1S)-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-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide is sourced from PubChem (CID 52525075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).