(2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide

C14H21NO3S — CID 125141054

IUPAC(2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C14H21NO3S/c1-11(19(17,18)10-14(2,3)4)13(16)15-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKeyCLKLZDUYBSGQFN-NSHDSACASA-N
MW283.39 g/mol
LogP2.47
Rot. Bonds4

About (2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide

(2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide (PubChem CID 125141054) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide
PubChem CID125141054
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide
SMILESC[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C14H21NO3S/c1-11(19(17,18)10-14(2,3)4)13(16)15-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m0/s1
InChIKeyCLKLZDUYBSGQFN-NSHDSACASA-N
XLogP2.47
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide
CID 82181671
(2S)-2-benzylsulfonyl-N-phenylpropanamide
CID 51983101
2-(3-aminopropylsulfonyl)-N-phenylpropanamide
CID 79015099
2-(1-anilino-1-oxopropan-2-yl)sulfonylpropanoic acid
CID 43117074
2-ethylsulfonyl-N-(3-methylphenyl)propanamide
CID 47207048
N-(4-fluorophenyl)-2-(2-hydroxyethylsulfonyl)propanamide
CID 82181674
(2S)-2-ethylsulfonyl-N-(3-methylphenyl)propanamide
CID 94090675
(2R)-2-amino-N-phenylpropanamide
CID 10607114
(2R)-2-[(5-chloro-2-methoxyphenyl)methylsulfonyl]-N-phenylpropanamide
CID 51933875
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
2-(3,3-dimethylbutan-2-ylamino)-N-phenylpropanamide
CID 113457786
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-phenylpropanamide
CID 79390383

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide?
The IUPAC name of (2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide (CID 125141054) is (2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide?
The canonical SMILES for (2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide is C[C@@H](C(=O)Nc1ccccc1)S(=O)(=O)CC(C)(C)C.
What is the InChIKey of (2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide?
The InChIKey is CLKLZDUYBSGQFN-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO3S/c1-11(19(17,18)10-14(2,3)4)13(16)15-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide?
(2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide has a molecular weight of 283.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropylsulfonyl)-N-phenylpropanamide is sourced from PubChem (CID 125141054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).