3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide

C28H41N5O4S — CID 143632027

IUPAC3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide
SMILESCCN(CCC(=O)N(C)CCC1CCN(c2ccncc2)CC1)S(=O)(=O)c1c(C)cc(OC)cc1/C=N/C
InChIInChI=1S/C28H41N5O4S/c1-6-33(38(35,36)28-22(2)19-26(37-5)20-24(28)21-29-3)18-12-27(34)31(4)15-9-23-10-16-32(17-11-23)25-7-13-30-14-8-25/h7-8,13-14,19-21,23H,6,9-12,15-18H2,1-5H3/b29-21+
InChIKeyUSOMDSXISILPHH-XHLNEMQHSA-N
MW543.73 g/mol
LogP3.61
Rot. Bonds12

About 3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide

3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide (PubChem CID 143632027) has the molecular formula C28H41N5O4S and a molecular weight of 543.73 g/mol. Its IUPAC name is 3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide
PubChem CID143632027
Molecular FormulaC28H41N5O4S
Molecular Weight543.73 g/mol
Exact Mass543.29
IUPAC Name3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide
SMILESCCN(CCC(=O)N(C)CCC1CCN(c2ccncc2)CC1)S(=O)(=O)c1c(C)cc(OC)cc1/C=N/C
InChIInChI=1S/C28H41N5O4S/c1-6-33(38(35,36)28-22(2)19-26(37-5)20-24(28)21-29-3)18-12-27(34)31(4)15-9-23-10-16-32(17-11-23)25-7-13-30-14-8-25/h7-8,13-14,19-21,23H,6,9-12,15-18H2,1-5H3/b29-21+
InChIKeyUSOMDSXISILPHH-XHLNEMQHSA-N
XLogP3.61
TPSA95.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.73
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide?
The IUPAC name of 3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide (CID 143632027) is 3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide?
The canonical SMILES for 3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide is CCN(CCC(=O)N(C)CCC1CCN(c2ccncc2)CC1)S(=O)(=O)c1c(C)cc(OC)cc1/C=N/C.
What is the InChIKey of 3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide?
The InChIKey is USOMDSXISILPHH-XHLNEMQHSA-N. The full InChI is InChI=1S/C28H41N5O4S/c1-6-33(38(35,36)28-22(2)19-26(37-5)20-24(28)21-29-3)18-12-27(34)31(4)15-9-23-10-16-32(17-11-23)25-7-13-30-14-8-25/h7-8,13-14,19-21,23H,6,9-12,15-18H2,1-5H3/b29-21+.
What are the key properties of 3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide?
3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide has a molecular weight of 543.73 g/mol, XLogP of 3.61, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[4-methoxy-2-methyl-6-(methyliminomethyl)phenyl]sulfonylamino]-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]propanamide is sourced from PubChem (CID 143632027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).