2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide

C25H26N2O2S — CID 27055625

IUPAC2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide
SMILESCc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O2S/c1-18-12-14-21(15-13-18)30-19(2)24(28)27-23-11-7-6-10-22(23)25(29)26-17-16-20-8-4-3-5-9-20/h3-15,19H,16-17H2,1-2H3,(H,26,29)(H,27,28)/t19-/m1/s1
InChIKeyQHWONMQORWALDD-LJQANCHMSA-N
MW418.56 g/mol
LogP5.09
Rot. Bonds8

About 2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide

2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 27055625) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide
PubChem CID27055625
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC Name2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide
SMILESCc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O2S/c1-18-12-14-21(15-13-18)30-19(2)24(28)27-23-11-7-6-10-22(23)25(29)26-17-16-20-8-4-3-5-9-20/h3-15,19H,16-17H2,1-2H3,(H,26,29)(H,27,28)/t19-/m1/s1
InChIKeyQHWONMQORWALDD-LJQANCHMSA-N
XLogP5.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
CID 31493274
N-cyclopropyl-2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzamide
CID 29353062
methyl 2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzoate
CID 126115619
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzamide
CID 38009756
ethyl 2-[[(2S)-2-(4-methylphenyl)sulfanylpropanoyl]amino]benzoate
CID 126115639
2-[[(2S)-2-phenylsulfanylpropanoyl]amino]-N-prop-2-enylbenzamide
CID 34744685
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51235350
(2S)-2-(4-fluorophenyl)sulfanyl-N-(2-phenylethyl)propanamide
CID 8740654
2-[[(2S)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]-N-(3-methoxypropyl)benzamide
CID 94018594
2-(2-phenylsulfanylpropanoylamino)benzoic acid
CID 23990337
2-[2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoylamino]-N-(2-phenylethyl)benzamide
CID 55541878

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide (CID 27055625) is 2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide is Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is QHWONMQORWALDD-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-18-12-14-21(15-13-18)30-19(2)24(28)27-23-11-7-6-10-22(23)25(29)26-17-16-20-8-4-3-5-9-20/h3-15,19H,16-17H2,1-2H3,(H,26,29)(H,27,28)/t19-/m1/s1.
What are the key properties of 2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide?
2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 418.56 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 27055625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).