N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide

C20H26FN3O3S — CID 55378421

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCCN(CCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1)c1cccc(C)c1
InChIInChI=1S/C20H26FN3O3S/c1-3-24(18-6-4-5-16(2)15-18)14-13-22-20(25)11-12-23-28(26,27)19-9-7-17(21)8-10-19/h4-10,15,23H,3,11-14H2,1-2H3,(H,22,25)
InChIKeySIDSMLPUIIZSOR-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.45
Rot. Bonds10

About N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 55378421) has the molecular formula C20H26FN3O3S and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID55378421
Molecular FormulaC20H26FN3O3S
Molecular Weight407.51 g/mol
Exact Mass407.17
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCCN(CCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1)c1cccc(C)c1
InChIInChI=1S/C20H26FN3O3S/c1-3-24(18-6-4-5-16(2)15-18)14-13-22-20(25)11-12-23-28(26,27)19-9-7-17(21)8-10-19/h4-10,15,23H,3,11-14H2,1-2H3,(H,22,25)
InChIKeySIDSMLPUIIZSOR-UHFFFAOYSA-N
XLogP2.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide (CID 55378421) is N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide is CCN(CCNC(=O)CCNS(=O)(=O)c1ccc(F)cc1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is SIDSMLPUIIZSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3S/c1-3-24(18-6-4-5-16(2)15-18)14-13-22-20(25)11-12-23-28(26,27)19-9-7-17(21)8-10-19/h4-10,15,23H,3,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 407.51 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55378421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).