(2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide

C18H20N2O2S — CID 42377293

IUPAC(2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide
SMILESCc1ccc(CSCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-7-9-14(10-8-13)11-23-12-16(21)20-17(18(19)22)15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H2,19,22)(H,20,21)/t17-/m0/s1
InChIKeyMXNFUARAVBPSEI-KRWDZBQOSA-N
MW328.44 g/mol
LogP2.57
Rot. Bonds7

About (2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide

(2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide (PubChem CID 42377293) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide
PubChem CID42377293
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide
SMILESCc1ccc(CSCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-13-7-9-14(10-8-13)11-23-12-16(21)20-17(18(19)22)15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H2,19,22)(H,20,21)/t17-/m0/s1
InChIKeyMXNFUARAVBPSEI-KRWDZBQOSA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methylsulfanyl]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 28633748
(2R)-4-amino-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-4-oxobutanoic acid
CID 107821505
(2R)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
CID 95278001
2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 43387373
(2S)-2-[(2-phenacylsulfanylacetyl)amino]-2-phenylacetamide
CID 95278000
2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanedioic acid
CID 78910243
2-[(4-methylphenyl)methylsulfanyl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 94016651
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(4-methylphenoxy)propanamide
CID 95567781
N-[(2R)-butan-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 40613910
(2S,3R)-3-hydroxy-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid
CID 104964864
(2R)-2-[[2-(2-amino-2-oxoethyl)sulfanylacetyl]amino]-2-phenylacetic acid
CID 119368058
(2R)-2-[[2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetyl]amino]-2-phenylacetamide
CID 92733857

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide (CID 42377293) is (2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide is Cc1ccc(CSCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide?
The InChIKey is MXNFUARAVBPSEI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-13-7-9-14(10-8-13)11-23-12-16(21)20-17(18(19)22)15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H2,19,22)(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide?
(2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide has a molecular weight of 328.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-2-phenylacetamide is sourced from PubChem (CID 42377293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).