N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide

C19H23NO2S — CID 132651419

IUPACN-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide
SMILESCc1ccc(OCC(C)NC(=O)CCSc2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-15-8-10-17(11-9-15)22-14-16(2)20-19(21)12-13-23-18-6-4-3-5-7-18/h3-11,16H,12-14H2,1-2H3,(H,20,21)
InChIKeyDPWXICRYBCWSFJ-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.06
Rot. Bonds8

About N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide

N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide (PubChem CID 132651419) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide
PubChem CID132651419
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide
SMILESCc1ccc(OCC(C)NC(=O)CCSc2ccccc2)cc1
InChIInChI=1S/C19H23NO2S/c1-15-8-10-17(11-9-15)22-14-16(2)20-19(21)12-13-23-18-6-4-3-5-7-18/h3-11,16H,12-14H2,1-2H3,(H,20,21)
InChIKeyDPWXICRYBCWSFJ-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-2-phenylsulfanylacetamide
CID 99998889
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 79192194
N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide
CID 16549377
N-[1-(4-methylphenoxy)propan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 132652959
2-(2-chlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 133166961
N-[(2S)-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 94665540
1-[1-(4-methylphenoxy)propan-2-yl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 133154759
3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide
CID 94027994
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
3-(4-fluorophenyl)sulfanyl-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 94811265
3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
CID 34317979
1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide (CID 132651419) is N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide is Cc1ccc(OCC(C)NC(=O)CCSc2ccccc2)cc1.
What is the InChIKey of N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide?
The InChIKey is DPWXICRYBCWSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15-8-10-17(11-9-15)22-14-16(2)20-19(21)12-13-23-18-6-4-3-5-7-18/h3-11,16H,12-14H2,1-2H3,(H,20,21).
What are the key properties of N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide?
N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide has a molecular weight of 329.47 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 132651419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).