N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide

C20H25FN2O3S — CID 120886222

IUPACN-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide
SMILESCC(CS(=O)(=O)c1ccc(F)cc1)C(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C20H25FN2O3S/c1-16(15-27(25,26)19-9-7-18(21)8-10-19)20(24)23(14-12-22)13-11-17-5-3-2-4-6-17/h2-10,16H,11-15,22H2,1H3
InChIKeyRAEIUROCNMYPQL-UHFFFAOYSA-N
MW392.50 g/mol
LogP2.27
Rot. Bonds9

About N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide

N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide (PubChem CID 120886222) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide
PubChem CID120886222
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC NameN-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide
SMILESCC(CS(=O)(=O)c1ccc(F)cc1)C(=O)N(CCN)CCc1ccccc1
InChIInChI=1S/C20H25FN2O3S/c1-16(15-27(25,26)19-9-7-18(21)8-10-19)20(24)23(14-12-22)13-11-17-5-3-2-4-6-17/h2-10,16H,11-15,22H2,1H3
InChIKeyRAEIUROCNMYPQL-UHFFFAOYSA-N
XLogP2.27
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120885669
3-(4-fluorophenyl)sulfonyl-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 71857042
N-(2-aminoethyl)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886149
(2S)-3-(4-fluorophenyl)sulfonyl-2-methylpropanoic acid
CID 28753239
N-(2-aminoethyl)-2-(3,4-difluorophenoxy)-N-(2-phenylethyl)propanamide
CID 120886600
N-(2-aminoethyl)-2-[(2-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886147
N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
CID 120886275
N-(2-aminoethyl)-2-(diethylamino)-N-(2-phenylethyl)butanamide
CID 120886396
(2R)-2-[[3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]amino]-3-phenylpropanoic acid
CID 119366986
N-(2-aminoethyl)-3-(2-fluorophenyl)-N-(2-phenylethyl)butanamide
CID 120885216
N-(2-aminoethyl)-N-(2-phenylethyl)-2-(thiophen-2-ylsulfonylamino)propanamide;hydrochloride
CID 120886821
N-(2-aminoethyl)-2-methyl-5-methylsulfonyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884373

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide (CID 120886222) is N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide is CC(CS(=O)(=O)c1ccc(F)cc1)C(=O)N(CCN)CCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide?
The InChIKey is RAEIUROCNMYPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-16(15-27(25,26)19-9-7-18(21)8-10-19)20(24)23(14-12-22)13-11-17-5-3-2-4-6-17/h2-10,16H,11-15,22H2,1H3.
What are the key properties of N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide?
N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide has a molecular weight of 392.50 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 120886222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).