(2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide

C13H17ClN2O2S — CID 8580236

IUPAC(2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide
SMILESCC(C)[C@@H](SCc1ccc(Cl)cc1)C(=O)NC(N)=O
InChIInChI=1S/C13H17ClN2O2S/c1-8(2)11(12(17)16-13(15)18)19-7-9-3-5-10(14)6-4-9/h3-6,8,11H,7H2,1-2H3,(H3,15,16,17,18)/t11-/m1/s1
InChIKeyLAXNMVHIHBXXSL-LLVKDONJSA-N
MW300.81 g/mol
LogP2.79
Rot. Bonds5

About (2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide

(2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide (PubChem CID 8580236) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide
PubChem CID8580236
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name(2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide
SMILESCC(C)[C@@H](SCc1ccc(Cl)cc1)C(=O)NC(N)=O
InChIInChI=1S/C13H17ClN2O2S/c1-8(2)11(12(17)16-13(15)18)19-7-9-3-5-10(14)6-4-9/h3-6,8,11H,7H2,1-2H3,(H3,15,16,17,18)/t11-/m1/s1
InChIKeyLAXNMVHIHBXXSL-LLVKDONJSA-N
XLogP2.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-carbamoyl-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-3-methylbutanamide
CID 7940551
N-carbamoyl-2-(4-chlorophenyl)sulfanylpropanamide
CID 4003837
(2S)-N-carbamoyl-2-(2,6-dichlorophenyl)sulfanyl-3-methylbutanamide
CID 7847857
4-[[(2S)-2-[(4-chlorophenyl)methylsulfanyl]propanoyl]amino]benzamide
CID 8580249
2-[(4-chlorophenyl)methylsulfanyl]-N-(ethylcarbamoyl)propanamide
CID 16523768
N-carbamoyl-2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide
CID 42978169
(2R)-N-carbamoyl-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide
CID 7170030
ethyl 2-[(4-chlorophenyl)methylsulfanyl]propanoate
CID 20542836
(2S)-N-carbamoyl-2-[(1R)-1-(4-chlorophenyl)ethyl]sulfanylpropanamide
CID 94217682
(2S)-N-(tert-butylcarbamoyl)-2-[(4-chlorophenyl)methylsulfanyl]propanamide
CID 9432487
N-carbamoyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-3-methylbutanamide
CID 17405064
4-[(4-chlorophenyl)methylsulfanyl]pentan-2-amine
CID 114792499

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide (CID 8580236) is (2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide is CC(C)[C@@H](SCc1ccc(Cl)cc1)C(=O)NC(N)=O.
What is the InChIKey of (2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide?
The InChIKey is LAXNMVHIHBXXSL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-8(2)11(12(17)16-13(15)18)19-7-9-3-5-10(14)6-4-9/h3-6,8,11H,7H2,1-2H3,(H3,15,16,17,18)/t11-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide?
(2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide has a molecular weight of 300.81 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[(4-chlorophenyl)methylsulfanyl]-3-methylbutanamide is sourced from PubChem (CID 8580236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).