(2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide

C14H21N3O3S — CID 94811442

IUPAC(2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide
SMILESCN(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C14H21N3O3S/c1-17(2)21(19,20)16-13(14(18)15-12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12-13,16H,8-10H2,1-2H3,(H,15,18)/t13-/m1/s1
InChIKeyOZWHKMCWNBZGMP-CYBMUJFWSA-N
MW311.41 g/mol
LogP0.27
Rot. Bonds7

About (2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide

(2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide (PubChem CID 94811442) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide
PubChem CID94811442
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name(2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide
SMILESCN(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C14H21N3O3S/c1-17(2)21(19,20)16-13(14(18)15-12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12-13,16H,8-10H2,1-2H3,(H,15,18)/t13-/m1/s1
InChIKeyOZWHKMCWNBZGMP-CYBMUJFWSA-N
XLogP0.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide
CID 94811441
(2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide
CID 94817333
N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide
CID 51107382
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 (2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide (CID 94811442) is (2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide is CN(C)S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide?
The InChIKey is OZWHKMCWNBZGMP-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-17(2)21(19,20)16-13(14(18)15-12-8-9-12)10-11-6-4-3-5-7-11/h3-7,12-13,16H,8-10H2,1-2H3,(H,15,18)/t13-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide?
(2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide is sourced from PubChem (CID 94811442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).