(2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide

C16H25N3O3S — CID 94817333

IUPAC(2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide
SMILESCCN(CC)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C16H25N3O3S/c1-3-19(4-2)23(21,22)18-15(16(20)17-14-10-11-14)12-13-8-6-5-7-9-13/h5-9,14-15,18H,3-4,10-12H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyCMZIFZZNXFDLQW-HNNXBMFYSA-N
MW339.46 g/mol
LogP1.05
Rot. Bonds9

About (2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide

(2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide (PubChem CID 94817333) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide
PubChem CID94817333
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide
SMILESCCN(CC)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C16H25N3O3S/c1-3-19(4-2)23(21,22)18-15(16(20)17-14-10-11-14)12-13-8-6-5-7-9-13/h5-9,14-15,18H,3-4,10-12H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyCMZIFZZNXFDLQW-HNNXBMFYSA-N
XLogP1.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide
CID 94811441
(2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide
CID 94811442
N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide
CID 51107382
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891419
[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene
CID 95040127
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide (CID 94817333) is (2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide is CCN(CC)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide?
The InChIKey is CMZIFZZNXFDLQW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-19(4-2)23(21,22)18-15(16(20)17-14-10-11-14)12-13-8-6-5-7-9-13/h5-9,14-15,18H,3-4,10-12H2,1-2H3,(H,17,20)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide?
(2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide has a molecular weight of 339.46 g/mol, XLogP of 1.05, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide is sourced from PubChem (CID 94817333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).