(2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide

C19H23N3O2S — CID 40799363

IUPAC(2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](NC(N)=O)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-25-12-11-17(22-19(20)24)18(23)21-16-10-6-5-9-15(16)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3,(H,21,23)(H3,20,22,24)/t17-/m1/s1
InChIKeyXWNYAYJEAITCRS-QGZVFWFLSA-N
MW357.48 g/mol
LogP3.01
Rot. Bonds8

About (2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide

(2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide (PubChem CID 40799363) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is (2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide
PubChem CID40799363
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name(2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide
SMILESCSCC[C@@H](NC(N)=O)C(=O)Nc1ccccc1Cc1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-25-12-11-17(22-19(20)24)18(23)21-16-10-6-5-9-15(16)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3,(H,21,23)(H3,20,22,24)/t17-/m1/s1
InChIKeyXWNYAYJEAITCRS-QGZVFWFLSA-N
XLogP3.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-4-methylsulfanyl-N-(4-phenylmethoxyphenyl)butanamide
CID 4781913
(2R)-2-(carbamoylamino)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9213493
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
(2S)-2-(carbamoylamino)-N-(4-methylphenyl)-4-methylsulfanylbutanamide
CID 2455996
2-(carbamoylamino)-N-(2-chloro-4-methylphenyl)-4-methylsulfanylbutanamide
CID 51072518
2-(carbamoylamino)-N-(2-fluoro-5-methylphenyl)-4-methylsulfanylbutanamide
CID 47097093
2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 3281721
2-[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]phenyl]acetic acid
CID 62535735
(2R)-2-(carbamoylamino)-N-(3,4-dimethylphenyl)-4-methylsulfanylbutanamide
CID 9416153
(2S)-2-amino-N-(2-ethylphenyl)-4-methylsulfanylbutanamide
CID 22691889
1-(2-benzylphenyl)-3-butan-2-ylurea
CID 75833712
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3872811

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide (CID 40799363) is (2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide is CSCC[C@@H](NC(N)=O)C(=O)Nc1ccccc1Cc1ccccc1.
What is the InChIKey of (2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide?
The InChIKey is XWNYAYJEAITCRS-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-25-12-11-17(22-19(20)24)18(23)21-16-10-6-5-9-15(16)13-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3,(H,21,23)(H3,20,22,24)/t17-/m1/s1.
What are the key properties of (2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide?
(2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide has a molecular weight of 357.48 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-benzylphenyl)-2-(carbamoylamino)-4-methylsulfanylbutanamide is sourced from PubChem (CID 40799363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).