3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

C15H20N2O4S — CID 134034714

IUPAC3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H20N2O4S/c1-22(20,21)11-8-14(18)16-13-6-4-12(5-7-13)15(19)17-9-2-3-10-17/h4-7H,2-3,8-11H2,1H3,(H,16,18)
InChIKeyCLLMVYKULKJXMA-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.30
Rot. Bonds5

About 3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide

3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 134034714) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID134034714
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCS(=O)(=O)CCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H20N2O4S/c1-22(20,21)11-8-14(18)16-13-6-4-12(5-7-13)15(19)17-9-2-3-10-17/h4-7H,2-3,8-11H2,1H3,(H,16,18)
InChIKeyCLLMVYKULKJXMA-UHFFFAOYSA-N
XLogP1.30
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316
4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119702385
4-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]benzoic acid
CID 119180120
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119278060
N-[4-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54836878
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 54843928
N-[3-[4-(azepane-1-carbonyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 47063381
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 61259425
2-methoxyethyl 4-[4-(azepane-1-carbonyl)anilino]-4-oxobutanoate
CID 17199104
4-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55532448
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 134034714) is 3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is CS(=O)(=O)CCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is CLLMVYKULKJXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-22(20,21)11-8-14(18)16-13-6-4-12(5-7-13)15(19)17-9-2-3-10-17/h4-7H,2-3,8-11H2,1H3,(H,16,18).
What are the key properties of 3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 324.40 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 134034714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).