N-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide

C18H21NOS — CID 10756594

IUPACN-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide
SMILESC[C@@H](CSc1ccccc1)N(C=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-15(13-21-18-11-7-4-8-12-18)19(14-20)16(2)17-9-5-3-6-10-17/h3-12,14-16H,13H2,1-2H3/t15-,16-/m0/s1
InChIKeyXLFDRICWNJWYST-HOTGVXAUSA-N
MW299.44 g/mol
LogP4.39
Rot. Bonds7

About N-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide

N-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide (PubChem CID 10756594) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide
PubChem CID10756594
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide
SMILESC[C@@H](CSc1ccccc1)N(C=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C18H21NOS/c1-15(13-21-18-11-7-4-8-12-18)19(14-20)16(2)17-9-5-3-6-10-17/h3-12,14-16H,13H2,1-2H3/t15-,16-/m0/s1
InChIKeyXLFDRICWNJWYST-HOTGVXAUSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(1-phenylpropyl)formamide
CID 88549986
3-methyl-1-phenylsulfanylpentan-2-ol
CID 79444974
(2-ethyl-3-methylbutyl)sulfanylbenzene
CID 10899831
(4S)-4-methyl-5-phenylsulfanylpentanoic acid
CID 154527066
2-methyl-5-phenylsulfanylpentanal
CID 79224004
N-ethyl-N-methylsulfanyl-1-phenylethanamine
CID 123514659
1-phenylsulfanylbutan-2-amine
CID 24973194
N,N-diethyl-1-phenylethanamine;nitroxyl
CID 144554786
2-azido-3-phenylsulfanylpropanal
CID 57183074
1-N,1-N-diethyl-4-phenylsulfanylbutane-1,3-diamine
CID 77220691
(1-oxo-3-phenylsulfanylpropan-2-yl) acetate
CID 54446196
(1S)-N-diphenylphosphanyl-N-ethyl-1-phenylethanamine
CID 22215677

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide (CID 10756594) is N-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide is C[C@@H](CSc1ccccc1)N(C=O)[C@@H](C)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide?
The InChIKey is XLFDRICWNJWYST-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H21NOS/c1-15(13-21-18-11-7-4-8-12-18)19(14-20)16(2)17-9-5-3-6-10-17/h3-12,14-16H,13H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide?
N-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide has a molecular weight of 299.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-N-[(2S)-1-phenylsulfanylpropan-2-yl]formamide is sourced from PubChem (CID 10756594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).