N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide

C22H29FN2O4S — CID 29170953

IUPACN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CCc2ccccc2F)c1
InChIInChI=1S/C22H29FN2O4S/c1-5-25(6-2)30(27,28)18-12-13-21(29-16(3)4)20(15-18)24-22(26)14-11-17-9-7-8-10-19(17)23/h7-10,12-13,15-16H,5-6,11,14H2,1-4H3,(H,24,26)
InChIKeyPOSRCIHAHDWNLF-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.21
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide (PubChem CID 29170953) has the molecular formula C22H29FN2O4S and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide
PubChem CID29170953
Molecular FormulaC22H29FN2O4S
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC NameN-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CCc2ccccc2F)c1
InChIInChI=1S/C22H29FN2O4S/c1-5-25(6-2)30(27,28)18-12-13-21(29-16(3)4)20(15-18)24-22(26)14-11-17-9-7-8-10-19(17)23/h7-10,12-13,15-16H,5-6,11,14H2,1-4H3,(H,24,26)
InChIKeyPOSRCIHAHDWNLF-UHFFFAOYSA-N
XLogP4.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
2-(2-chlorophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 4820431
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 24509301
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopropanecarboxamide
CID 26354488
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]cyclopentanecarboxamide
CID 4820427
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylsulfonylbenzamide
CID 26354339
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16622288
2-(4-cyanophenoxy)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]propanamide
CID 16552710
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 5213116
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]acetamide
CID 24509414
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 43025835

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide (CID 29170953) is N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide is CCN(CC)S(=O)(=O)c1ccc(OC(C)C)c(NC(=O)CCc2ccccc2F)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is POSRCIHAHDWNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O4S/c1-5-25(6-2)30(27,28)18-12-13-21(29-16(3)4)20(15-18)24-22(26)14-11-17-9-7-8-10-19(17)23/h7-10,12-13,15-16H,5-6,11,14H2,1-4H3,(H,24,26).
What are the key properties of N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide?
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 436.55 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 29170953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).