N-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide

C20H28F3N3O5S — CID 155370212

IUPACN-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide
SMILESCCN(CCCCCS(=O)(=O)NC1(c2ccc(F)c(OCC(F)F)c2)CC1)C(=O)NC=O
InChIInChI=1S/C20H28F3N3O5S/c1-2-26(19(28)24-14-27)10-4-3-5-11-32(29,30)25-20(8-9-20)15-6-7-16(21)17(12-15)31-13-18(22)23/h6-7,12,14,18,25H,2-5,8-11,13H2,1H3,(H,24,27,28)
InChIKeyQJSHGZPZMPTLFU-UHFFFAOYSA-N
MW479.52 g/mol
LogP2.74
Rot. Bonds14

About N-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide

N-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide (PubChem CID 155370212) has the molecular formula C20H28F3N3O5S and a molecular weight of 479.52 g/mol. Its IUPAC name is N-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide.

Molecular Properties

Compound NameN-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide
PubChem CID155370212
Molecular FormulaC20H28F3N3O5S
Molecular Weight479.52 g/mol
Exact Mass479.17
IUPAC NameN-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide
SMILESCCN(CCCCCS(=O)(=O)NC1(c2ccc(F)c(OCC(F)F)c2)CC1)C(=O)NC=O
InChIInChI=1S/C20H28F3N3O5S/c1-2-26(19(28)24-14-27)10-4-3-5-11-32(29,30)25-20(8-9-20)15-6-7-16(21)17(12-15)31-13-18(22)23/h6-7,12,14,18,25H,2-5,8-11,13H2,1H3,(H,24,27,28)
InChIKeyQJSHGZPZMPTLFU-UHFFFAOYSA-N
XLogP2.74
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide?
The IUPAC name of N-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide (CID 155370212) is N-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide.
What is the SMILES notation for N-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide?
The canonical SMILES for N-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide is CCN(CCCCCS(=O)(=O)NC1(c2ccc(F)c(OCC(F)F)c2)CC1)C(=O)NC=O.
What is the InChIKey of N-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide?
The InChIKey is QJSHGZPZMPTLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O5S/c1-2-26(19(28)24-14-27)10-4-3-5-11-32(29,30)25-20(8-9-20)15-6-7-16(21)17(12-15)31-13-18(22)23/h6-7,12,14,18,25H,2-5,8-11,13H2,1H3,(H,24,27,28).
What are the key properties of N-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide?
N-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide has a molecular weight of 479.52 g/mol, XLogP of 2.74, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]cyclopropyl]sulfamoyl]pentyl-ethylcarbamoyl]formamide is sourced from PubChem (CID 155370212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).