N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide

C18H21NO2S — CID 99998889

IUPACN-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
SMILESCc1ccc(OC[C@H](C)NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c1-14-8-10-16(11-9-14)21-12-15(2)19-18(20)13-22-17-6-4-3-5-7-17/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyLSOCTGYKOCPKLX-HNNXBMFYSA-N
MW315.44 g/mol
LogP3.67
Rot. Bonds7

About N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide

N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide (PubChem CID 99998889) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
PubChem CID99998889
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
SMILESCc1ccc(OC[C@H](C)NC(=O)CSc2ccccc2)cc1
InChIInChI=1S/C18H21NO2S/c1-14-8-10-16(11-9-14)21-12-15(2)19-18(20)13-22-17-6-4-3-5-7-17/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m0/s1
InChIKeyLSOCTGYKOCPKLX-HNNXBMFYSA-N
XLogP3.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide
CID 132651419
N-[1-(2-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
CID 132650617
N-[(2R)-1-hydroxypropan-2-yl]-2-phenylsulfanylacetamide
CID 79031593
3-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43240777
3-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 43240764
N-[1-(4-methylphenoxy)propan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 132652959
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114
2-(2-chlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 133166961
1-[1-(4-methylphenoxy)propan-2-yl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 133154759
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 38007652
N-(1-phenylpropan-2-yl)-2-phenylsulfanylacetamide
CID 142934157
2-(4-methylphenyl)sulfanyl-N-pentan-2-ylacetamide
CID 2954459

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide (CID 99998889) is N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide is Cc1ccc(OC[C@H](C)NC(=O)CSc2ccccc2)cc1.
What is the InChIKey of N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide?
The InChIKey is LSOCTGYKOCPKLX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-14-8-10-16(11-9-14)21-12-15(2)19-18(20)13-22-17-6-4-3-5-7-17/h3-11,15H,12-13H2,1-2H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide?
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide has a molecular weight of 315.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 99998889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).