N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide

C14H20N2O3S — CID 51107382

IUPACN-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide
SMILESCCS(=O)(=O)NC(Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C14H20N2O3S/c1-2-20(18,19)16-13(14(17)15-12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12-13,16H,2,8-10H2,1H3,(H,15,17)
InChIKeyLTNALTBYBHAEJR-UHFFFAOYSA-N
MW296.39 g/mol
LogP0.82
Rot. Bonds7

About N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide

N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide (PubChem CID 51107382) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide
PubChem CID51107382
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide
SMILESCCS(=O)(=O)NC(Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C14H20N2O3S/c1-2-20(18,19)16-13(14(17)15-12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12-13,16H,2,8-10H2,1H3,(H,15,17)
InChIKeyLTNALTBYBHAEJR-UHFFFAOYSA-N
XLogP0.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide
CID 94817333
(2S)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide
CID 94811441
(2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide
CID 94811442
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891419
(2R)-N-cyclopentyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646029
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 124583658
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 40931957
(2S)-N-cyclohexyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646030
(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
CID 95291680
(2S)-N-cyclooctyl-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541243
2-[(4-fluorophenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 132666094
N-cycloheptyl-3-phenyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 22422631

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide?
The IUPAC name of N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide (CID 51107382) is N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide.
What is the SMILES notation for N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide?
The canonical SMILES for N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide is CCS(=O)(=O)NC(Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide?
The InChIKey is LTNALTBYBHAEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-2-20(18,19)16-13(14(17)15-12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12-13,16H,2,8-10H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide?
N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide has a molecular weight of 296.39 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide is sourced from PubChem (CID 51107382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).