N-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide

C15H14ClNOS — CID 124926697

IUPACN-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide
SMILESO=CN[C@@H](CSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H14ClNOS/c16-13-6-8-14(9-7-13)19-10-15(17-11-18)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,17,18)/t15-/m0/s1
InChIKeyKTIGLESFCMPORX-HNNXBMFYSA-N
MW291.80 g/mol
LogP3.92
Rot. Bonds6

About N-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide

N-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide (PubChem CID 124926697) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide.

Molecular Properties

Compound NameN-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide
PubChem CID124926697
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC NameN-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide
SMILESO=CN[C@@H](CSc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H14ClNOS/c16-13-6-8-14(9-7-13)19-10-15(17-11-18)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,17,18)/t15-/m0/s1
InChIKeyKTIGLESFCMPORX-HNNXBMFYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-chlorophenyl)-2-phenylsulfanylethyl]hydrazine
CID 105228100
N-[(1S)-1-(4-chlorophenyl)-2-(2-nitrophenyl)ethyl]formamide
CID 125472852
[2-(4-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105235850
N-(1-phenyl-2-pyridin-2-ylethyl)formamide
CID 57000523
N-[2-hydroxy-1-(4-phenylphenyl)ethyl]formamide
CID 170955865
1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143233
2-(4-chlorophenyl)sulfanyl-N-ethyl-1-(3-methoxyphenyl)ethanamine
CID 64620365
2-(4-chlorophenyl)sulfanyl-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 66145138
N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide
CID 15686336
[1-(4-chlorophenoxy)-3-phenylsulfanylpropan-2-yl] prop-2-enoate
CID 58961721
2-(4-chlorophenyl)sulfanyl-2-phenylethanol
CID 16735964
1-(4-chlorophenyl)sulfanyl-N-methyl-4-methylsulfonylbutan-2-amine
CID 66143966

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide?
The IUPAC name of N-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide (CID 124926697) is N-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide.
What is the SMILES notation for N-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide?
The canonical SMILES for N-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide is O=CN[C@@H](CSc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide?
The InChIKey is KTIGLESFCMPORX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c16-13-6-8-14(9-7-13)19-10-15(17-11-18)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H,17,18)/t15-/m0/s1.
What are the key properties of N-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide?
N-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide has a molecular weight of 291.80 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(4-chlorophenyl)sulfanyl-1-phenylethyl]formamide is sourced from PubChem (CID 124926697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).