3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide

C18H26N4O5S — CID 108574262

IUPAC3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCNS(=O)(=O)c2c(C)n[nH]c2C)cc1OC
InChIInChI=1S/C18H26N4O5S/c1-12-18(13(2)22-21-12)28(24,25)20-10-9-19-17(23)8-6-14-5-7-15(26-3)16(11-14)27-4/h5,7,11,20H,6,8-10H2,1-4H3,(H,19,23)(H,21,22)
InChIKeyNVXQTAGPGSQWDX-UHFFFAOYSA-N
MW410.50 g/mol
LogP1.07
Rot. Bonds10

About 3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide (PubChem CID 108574262) has the molecular formula C18H26N4O5S and a molecular weight of 410.50 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
PubChem CID108574262
Molecular FormulaC18H26N4O5S
Molecular Weight410.50 g/mol
Exact Mass410.16
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCNS(=O)(=O)c2c(C)n[nH]c2C)cc1OC
InChIInChI=1S/C18H26N4O5S/c1-12-18(13(2)22-21-12)28(24,25)20-10-9-19-17(23)8-6-14-5-7-15(26-3)16(11-14)27-4/h5,7,11,20H,6,8-10H2,1-4H3,(H,19,23)(H,21,22)
InChIKeyNVXQTAGPGSQWDX-UHFFFAOYSA-N
XLogP1.07
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574284
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574816
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108574295
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108574288
N-[2-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110705723
N-[3-(4-methoxyphenyl)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110288674
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2950024
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 3070848
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide (CID 108574262) is 3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide is COc1ccc(CCC(=O)NCCNS(=O)(=O)c2c(C)n[nH]c2C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide?
The InChIKey is NVXQTAGPGSQWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5S/c1-12-18(13(2)22-21-12)28(24,25)20-10-9-19-17(23)8-6-14-5-7-15(26-3)16(11-14)27-4/h5,7,11,20H,6,8-10H2,1-4H3,(H,19,23)(H,21,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide has a molecular weight of 410.50 g/mol, XLogP of 1.07, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide is sourced from PubChem (CID 108574262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).