N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide

C18H24N4O3S — CID 51130913

IUPACN-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
SMILESCCc1ccc(CN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C2CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-2-14-3-5-15(6-4-14)12-22(16-7-8-16)18(23)9-10-21-13-17(11-20-21)26(19,24)25/h3-6,11,13,16H,2,7-10,12H2,1H3,(H2,19,24,25)
InChIKeyDJNRPCRMXCUEGP-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.67
Rot. Bonds8

About N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide

N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide (PubChem CID 51130913) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
PubChem CID51130913
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
SMILESCCc1ccc(CN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C2CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-2-14-3-5-15(6-4-14)12-22(16-7-8-16)18(23)9-10-21-13-17(11-20-21)26(19,24)25/h3-6,11,13,16H,2,7-10,12H2,1H3,(H2,19,24,25)
InChIKeyDJNRPCRMXCUEGP-UHFFFAOYSA-N
XLogP1.67
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide (CID 51130913) is N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide is CCc1ccc(CN(C(=O)CCn2cc(S(N)(=O)=O)cn2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The InChIKey is DJNRPCRMXCUEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-2-14-3-5-15(6-4-14)12-22(16-7-8-16)18(23)9-10-21-13-17(11-20-21)26(19,24)25/h3-6,11,13,16H,2,7-10,12H2,1H3,(H2,19,24,25).
What are the key properties of N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide?
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide has a molecular weight of 376.48 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide is sourced from PubChem (CID 51130913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).