N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide

C21H24N4O3S — CID 56532369

IUPACN-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
SMILESCC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H24N4O3S/c1-16(18-7-6-10-20(13-18)29(22,27)28)24(2)21(26)12-11-17-14-23-25(15-17)19-8-4-3-5-9-19/h3-10,13-16H,11-12H2,1-2H3,(H2,22,27,28)
InChIKeyKRVOZCYVDQZAGN-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.67
Rot. Bonds7

About N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide

N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide (PubChem CID 56532369) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
PubChem CID56532369
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
SMILESCC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H24N4O3S/c1-16(18-7-6-10-20(13-18)29(22,27)28)24(2)21(26)12-11-17-14-23-25(15-17)19-8-4-3-5-9-19/h3-10,13-16H,11-12H2,1-2H3,(H2,22,27,28)
InChIKeyKRVOZCYVDQZAGN-UHFFFAOYSA-N
XLogP2.67
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 18103199
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 25487197
N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 55471999
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 111542921
N-(3-amino-4-methylpentyl)-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119657817
N-methyl-2-(1-phenylpyrazol-4-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 51335766
N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 95342586
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26809580
N,N-dimethyl-3-[[3-(1-phenylpyrazol-4-yl)propanoylamino]carbamoyl]benzenesulfonamide
CID 26997204
N-(1-aminopropan-2-yl)-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide;hydrochloride
CID 119581500
3-ethyl-1-methyl-1-[1-(3-sulfamoylphenyl)ethyl]urea
CID 86807582
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide (CID 56532369) is N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide is CC(c1cccc(S(N)(=O)=O)c1)N(C)C(=O)CCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is KRVOZCYVDQZAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-16(18-7-6-10-20(13-18)29(22,27)28)24(2)21(26)12-11-17-14-23-25(15-17)19-8-4-3-5-9-19/h3-10,13-16H,11-12H2,1-2H3,(H2,22,27,28).
What are the key properties of N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide?
N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 412.52 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-phenylpyrazol-4-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 56532369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).