N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide

C17H19NOS — CID 95899111

IUPACN-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide
SMILESC[C@H](SCC(=O)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-14(15-9-5-3-6-10-15)20-13-17(19)18(2)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/t14-/m0/s1
InChIKeyZZEVKVVYSOPNAU-AWEZNQCLSA-N
MW285.41 g/mol
LogP4.14
Rot. Bonds5

About N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide

N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide (PubChem CID 95899111) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide
PubChem CID95899111
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide
SMILESC[C@H](SCC(=O)N(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NOS/c1-14(15-9-5-3-6-10-15)20-13-17(19)18(2)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/t14-/m0/s1
InChIKeyZZEVKVVYSOPNAU-AWEZNQCLSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-tert-butylsulfanyl-N-methyl-N-phenylacetamide
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CID 81071544
N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-phenylacetamide
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2-methyl-2-[2-(N-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 81222480
(3S)-3-(4-fluorophenyl)-N-methyl-N-phenylbutanamide
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N-methyl-N-phenyl-2-pyrrol-1-ylacetamide
CID 110688597
N-methyl-N-phenyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17456548
N-methyl-N-phenylnonanamide
CID 54136731
2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide
CID 104590375
2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide
CID 66231060
[2-(N-methylanilino)-2-oxoethyl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8639948

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide?
The IUPAC name of N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide (CID 95899111) is N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide.
What is the SMILES notation for N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide?
The canonical SMILES for N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide is C[C@H](SCC(=O)N(C)c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide?
The InChIKey is ZZEVKVVYSOPNAU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19NOS/c1-14(15-9-5-3-6-10-15)20-13-17(19)18(2)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3/t14-/m0/s1.
What are the key properties of N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide?
N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide has a molecular weight of 285.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-2-[(1S)-1-phenylethyl]sulfanylacetamide is sourced from PubChem (CID 95899111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).