(2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide

C18H24N2O2S — CID 95155989

IUPAC(2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide
SMILESC=CCNC(=O)[C@@H](C)SCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C18H24N2O2S/c1-3-10-19-17(21)14(2)23-13-15-6-8-16(9-7-15)18(22)20-11-4-5-12-20/h3,6-9,14H,1,4-5,10-13H2,2H3,(H,19,21)/t14-/m1/s1
InChIKeyRZBVULISPIPNDX-CQSZACIVSA-N
MW332.47 g/mol
LogP2.85
Rot. Bonds7

About (2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide

(2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide (PubChem CID 95155989) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is (2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide
PubChem CID95155989
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name(2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide
SMILESC=CCNC(=O)[C@@H](C)SCc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C18H24N2O2S/c1-3-10-19-17(21)14(2)23-13-15-6-8-16(9-7-15)18(22)20-11-4-5-12-20/h3,6-9,14H,1,4-5,10-13H2,2H3,(H,19,21)/t14-/m1/s1
InChIKeyRZBVULISPIPNDX-CQSZACIVSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-[1-(4-chlorophenyl)ethylsulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 55989288
methyl 4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)sulfanylmethyl]benzoate
CID 78842954
(2R)-2-(naphthalen-1-ylmethylsulfanyl)-N-prop-2-enylpropanamide
CID 95341983
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 34952537
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-N-prop-2-enylpropanamide
CID 138379082
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 107903159
azepan-1-yl-[4-(propan-2-yloxymethyl)phenyl]methanone
CID 60646026
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 61259063
(3S)-1-(4-acetamidobenzoyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 92728970
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192

Frequently Asked Questions

What is the IUPAC name of (2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide?
The IUPAC name of (2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide (CID 95155989) is (2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide.
What is the SMILES notation for (2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide?
The canonical SMILES for (2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide is C=CCNC(=O)[C@@H](C)SCc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of (2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide?
The InChIKey is RZBVULISPIPNDX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-3-10-19-17(21)14(2)23-13-15-6-8-16(9-7-15)18(22)20-11-4-5-12-20/h3,6-9,14H,1,4-5,10-13H2,2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide?
(2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide has a molecular weight of 332.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-prop-2-enyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylsulfanyl]propanamide is sourced from PubChem (CID 95155989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).