(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide

C16H22N2O2S — CID 95291680

IUPAC(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
SMILESCS[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C16H22N2O2S/c1-11(21-2)15(19)18-14(16(20)17-13-8-9-13)10-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,17,20)(H,18,19)/t11-,14+/m1/s1
InChIKeySNQNMTWBHJIIHS-RISCZKNCSA-N
MW306.43 g/mol
LogP1.74
Rot. Bonds7

About (2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide

(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide (PubChem CID 95291680) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
PubChem CID95291680
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
SMILESCS[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C16H22N2O2S/c1-11(21-2)15(19)18-14(16(20)17-13-8-9-13)10-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,17,20)(H,18,19)/t11-,14+/m1/s1
InChIKeySNQNMTWBHJIIHS-RISCZKNCSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide
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N-cyclopropyl-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-3-phenylpropanamide
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N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
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(2S)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide
CID 94811441
(2R)-N-cyclopropyl-2-(dimethylsulfamoylamino)-3-phenylpropanamide
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(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
CID 52506751
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 71902056
(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide (CID 95291680) is (2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide is CS[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide?
The InChIKey is SNQNMTWBHJIIHS-RISCZKNCSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(21-2)15(19)18-14(16(20)17-13-8-9-13)10-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H,17,20)(H,18,19)/t11-,14+/m1/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide?
(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide has a molecular weight of 306.43 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 95291680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).