N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide

C21H27FN2O4S2 — CID 24509301

IUPACN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCSc1ccccc1F
InChIInChI=1S/C21H27FN2O4S2/c1-4-24(5-2)30(26,27)16-11-12-19(28-6-3)18(15-16)23-21(25)13-14-29-20-10-8-7-9-17(20)22/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,25)
InChIKeyBCSZOLLCYORPQL-UHFFFAOYSA-N
MW454.59 g/mol
LogP4.38
Rot. Bonds11

About N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide (PubChem CID 24509301) has the molecular formula C21H27FN2O4S2 and a molecular weight of 454.59 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide
PubChem CID24509301
Molecular FormulaC21H27FN2O4S2
Molecular Weight454.59 g/mol
Exact Mass454.14
IUPAC NameN-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide
SMILESCCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCSc1ccccc1F
InChIInChI=1S/C21H27FN2O4S2/c1-4-24(5-2)30(26,27)16-11-12-19(28-6-3)18(15-16)23-21(25)13-14-29-20-10-8-7-9-17(20)22/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,25)
InChIKeyBCSZOLLCYORPQL-UHFFFAOYSA-N
XLogP4.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]butanamide;hydrochloride
CID 119268072
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2,2-diphenylacetamide
CID 26891804
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-(4-fluorophenoxy)butanamide
CID 46535117
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(methylamino)acetamide
CID 119683526
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3-(2-fluorophenyl)propanamide
CID 29170953
2-(2-chlorophenyl)-N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]acetamide
CID 8501669
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-nitroanilino)propanamide
CID 16962896
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(2-fluorophenoxy)acetamide
CID 3615295
trans-[2-[5-(diethylsulfamoyl)-2-ethoxyanilino]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230478
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55465611
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911264
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 45373932

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide (CID 24509301) is N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide is CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCSc1ccccc1F.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide?
The InChIKey is BCSZOLLCYORPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O4S2/c1-4-24(5-2)30(26,27)16-11-12-19(28-6-3)18(15-16)23-21(25)13-14-29-20-10-8-7-9-17(20)22/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide?
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide has a molecular weight of 454.59 g/mol, XLogP of 4.38, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 24509301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).