(2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide

C17H23N3O3S — CID 95971898

IUPAC(2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide
SMILESCc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O)cc2)n1
InChIInChI=1S/C17H23N3O3S/c1-11-10-12(2)20(19-11)16-8-6-15(7-9-16)13(3)18-17(21)14(4)24(5,22)23/h6-10,13-14H,1-5H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyJPBTUZBEPOHPAX-KGLIPLIRSA-N
MW349.46 g/mol
LogP2.10
Rot. Bonds5

About (2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide

(2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide (PubChem CID 95971898) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide
PubChem CID95971898
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name(2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide
SMILESCc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O)cc2)n1
InChIInChI=1S/C17H23N3O3S/c1-11-10-12(2)20(19-11)16-8-6-15(7-9-16)13(3)18-17(21)14(4)24(5,22)23/h6-10,13-14H,1-5H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyJPBTUZBEPOHPAX-KGLIPLIRSA-N
XLogP2.10
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504201
(2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide
CID 96570122
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide
CID 120565817
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide
CID 119894668
1-[[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124591003
2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 119894640
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutanamide
CID 75430701
N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylacetamide
CID 97031370
N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide
CID 97004108
N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methoxyethanesulfonamide
CID 97004107
(2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119894609
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 71873153

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide?
The IUPAC name of (2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide (CID 95971898) is (2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide is Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@H](C)S(C)(=O)=O)cc2)n1.
What is the InChIKey of (2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide?
The InChIKey is JPBTUZBEPOHPAX-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-11-10-12(2)20(19-11)16-8-6-15(7-9-16)13(3)18-17(21)14(4)24(5,22)23/h6-10,13-14H,1-5H3,(H,18,21)/t13-,14+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide?
(2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide has a molecular weight of 349.46 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 95971898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).