(2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide

C15H20N2O2S — CID 97089947

IUPAC(2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide
SMILESC=C(C)CSCC(=O)N[C@@H](C(=O)NC)c1ccccc1
InChIInChI=1S/C15H20N2O2S/c1-11(2)9-20-10-13(18)17-14(15(19)16-3)12-7-5-4-6-8-12/h4-8,14H,1,9-10H2,2-3H3,(H,16,19)(H,17,18)/t14-/m1/s1
InChIKeyDCGPDSWEVHEZAW-CQSZACIVSA-N
MW292.40 g/mol
LogP1.90
Rot. Bonds7

About (2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide

(2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide (PubChem CID 97089947) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is (2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide
PubChem CID97089947
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name(2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide
SMILESC=C(C)CSCC(=O)N[C@@H](C(=O)NC)c1ccccc1
InChIInChI=1S/C15H20N2O2S/c1-11(2)9-20-10-13(18)17-14(15(19)16-3)12-7-5-4-6-8-12/h4-8,14H,1,9-10H2,2-3H3,(H,16,19)(H,17,18)/t14-/m1/s1
InChIKeyDCGPDSWEVHEZAW-CQSZACIVSA-N
XLogP1.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(3-bromophenyl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide
CID 112842183
2-[[2-(carboxymethylsulfanyl)acetyl]amino]-2-phenylacetic acid
CID 104569833
2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide
CID 167839661
(2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid
CID 119368058
(2R)-N-methyl-2-[[2-(4-methylphenyl)acetyl]amino]-2-phenylacetamide
CID 71906698
(2S)-2-phenyl-2-[(2-propylsulfanylacetyl)amino]acetic acid
CID 119372714
N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
N-[2-(methylamino)-2-oxo-1-phenylethyl]-3-morpholin-4-ylpropanamide
CID 91764597
N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 47075853
(2R)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
CID 95278001
(2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
CID 95278000
(2S)-N-methyl-2-[[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]amino]-2-phenylacetamide
CID 97007888

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide?
The IUPAC name of (2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide (CID 97089947) is (2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide?
The canonical SMILES for (2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide is C=C(C)CSCC(=O)N[C@@H](C(=O)NC)c1ccccc1.
What is the InChIKey of (2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide?
The InChIKey is DCGPDSWEVHEZAW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11(2)9-20-10-13(18)17-14(15(19)16-3)12-7-5-4-6-8-12/h4-8,14H,1,9-10H2,2-3H3,(H,16,19)(H,17,18)/t14-/m1/s1.
What are the key properties of (2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide?
(2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide has a molecular weight of 292.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-[[2-(2-methylprop-2-enylsulfanyl)acetyl]amino]-2-phenylacetamide is sourced from PubChem (CID 97089947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).