N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide

C23H23NOS — CID 16549377

IUPACN-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide
SMILESCc1ccc(C(NC(=O)CCSc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NOS/c1-18-12-14-20(15-13-18)23(19-8-4-2-5-9-19)24-22(25)16-17-26-21-10-6-3-7-11-21/h2-15,23H,16-17H2,1H3,(H,24,25)
InChIKeyMXYIXGZOEAMPRB-UHFFFAOYSA-N
MW361.51 g/mol
LogP5.38
Rot. Bonds7

About N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide

N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide (PubChem CID 16549377) has the molecular formula C23H23NOS and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide
PubChem CID16549377
Molecular FormulaC23H23NOS
Molecular Weight361.51 g/mol
Exact Mass361.15
IUPAC NameN-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide
SMILESCc1ccc(C(NC(=O)CCSc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NOS/c1-18-12-14-20(15-13-18)23(19-8-4-2-5-9-19)24-22(25)16-17-26-21-10-6-3-7-11-21/h2-15,23H,16-17H2,1H3,(H,24,25)
InChIKeyMXYIXGZOEAMPRB-UHFFFAOYSA-N
XLogP5.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.51
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzylsulfanyl-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 92675402
N-benzhydryl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41486489
3-(4-methylphenyl)sulfanyl-N-[(1R)-1-phenylpropyl]propanamide
CID 94027994
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275
N-[(4-methylphenyl)-phenylmethyl]-3-phenylmethoxypropanamide
CID 60546055
N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide
CID 132651419
N-[(2S)-3-methylbutan-2-yl]-3-phenylsulfanylpropanamide
CID 94665540
N-[(1S)-2-hydroxy-1-phenylethyl]-3-phenylsulfanylpropanamide
CID 103944973
(2S)-3-hydroxy-2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoic acid
CID 61151903
N-(1,3-dihydroxypropan-2-yl)-3-phenylsulfanylpropanamide
CID 65315150
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797996
3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide (CID 16549377) is N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide is Cc1ccc(C(NC(=O)CCSc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide?
The InChIKey is MXYIXGZOEAMPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NOS/c1-18-12-14-20(15-13-18)23(19-8-4-2-5-9-19)24-22(25)16-17-26-21-10-6-3-7-11-21/h2-15,23H,16-17H2,1H3,(H,24,25).
What are the key properties of N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide?
N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide has a molecular weight of 361.51 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-phenylmethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 16549377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).