2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide

C14H17N3O3S — CID 108759228

IUPAC2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESN#CCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C14H17N3O3S/c15-8-7-14(18)16-11-12-3-5-13(6-4-12)21(19,20)17-9-1-2-10-17/h3-6H,1-2,7,9-11H2,(H,16,18)
InChIKeyUOCGHKGQQFYFMP-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.00
Rot. Bonds5

About 2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide

2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide (PubChem CID 108759228) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
PubChem CID108759228
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
SMILESN#CCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C14H17N3O3S/c15-8-7-14(18)16-11-12-3-5-13(6-4-12)21(19,20)17-9-1-2-10-17/h3-6H,1-2,7,9-11H2,(H,16,18)
InChIKeyUOCGHKGQQFYFMP-UHFFFAOYSA-N
XLogP1.00
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
1-cyano-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]cyclopentane-1-carboxamide
CID 51246958
2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 17248916
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
3-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736275
N-[2-oxo-2-[(4-piperidin-1-ylsulfonylphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 55634285
2,2,2-trifluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108759219
3-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 18116547
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 28562368
2-(4-morpholin-4-ylsulfonylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 28562499
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide (CID 108759228) is 2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide is N#CCC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide?
The InChIKey is UOCGHKGQQFYFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-8-7-14(18)16-11-12-3-5-13(6-4-12)21(19,20)17-9-1-2-10-17/h3-6H,1-2,7,9-11H2,(H,16,18).
What are the key properties of 2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide?
2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide has a molecular weight of 307.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 108759228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).