(2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide

C18H21N3O2S — CID 94652235

IUPAC(2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide
SMILESCSc1ccccc1NC(=O)N[C@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C18H21N3O2S/c1-13(17(22)19-12-14-8-4-3-5-9-14)20-18(23)21-15-10-6-7-11-16(15)24-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H2,20,21,23)/t13-/m1/s1
InChIKeyDLUDORNYMKOLIF-CYBMUJFWSA-N
MW343.45 g/mol
LogP3.23
Rot. Bonds6

About (2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide

(2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide (PubChem CID 94652235) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide
PubChem CID94652235
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide
SMILESCSc1ccccc1NC(=O)N[C@H](C)C(=O)NCc1ccccc1
InChIInChI=1S/C18H21N3O2S/c1-13(17(22)19-12-14-8-4-3-5-9-14)20-18(23)21-15-10-6-7-11-16(15)24-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H2,20,21,23)/t13-/m1/s1
InChIKeyDLUDORNYMKOLIF-CYBMUJFWSA-N
XLogP3.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
N-benzyl-2-(methylcarbamoylamino)propanamide
CID 47377374
1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
2-[(2-aminoacetyl)amino]-N-benzylpropanamide
CID 119304547
N-benzyl-2-(2-methylsulfanylanilino)acetamide
CID 51252968
(2S)-3-hydroxy-2-[(2-methylsulfanylphenyl)carbamoylamino]propanoic acid
CID 107642413
N-benzyl-2-(cyclohexylcarbamoylamino)propanamide
CID 60573206
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]butanamide
CID 119750989
1-[1-[2-(benzylcarbamothioyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylurea
CID 55350809
1-heptan-4-yl-3-(2-methylsulfanylphenyl)urea
CID 58607472

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide?
The IUPAC name of (2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide (CID 94652235) is (2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide?
The canonical SMILES for (2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide is CSc1ccccc1NC(=O)N[C@H](C)C(=O)NCc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide?
The InChIKey is DLUDORNYMKOLIF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13(17(22)19-12-14-8-4-3-5-9-14)20-18(23)21-15-10-6-7-11-16(15)24-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H2,20,21,23)/t13-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide?
(2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide has a molecular weight of 343.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[(2-methylsulfanylphenyl)carbamoylamino]propanamide is sourced from PubChem (CID 94652235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).