[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate

C15H14ClNO3S — CID 9383453

IUPAC[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate
SMILESC[C@@H](OC(=O)c1ccsc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H14ClNO3S/c1-10(20-15(19)12-6-7-21-9-12)14(18)17-8-11-4-2-3-5-13(11)16/h2-7,9-10H,8H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyDVJMLDXXXBKLNA-SNVBAGLBSA-N
MW323.80 g/mol
LogP3.26
Rot. Bonds5

About [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate

[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate (PubChem CID 9383453) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate
PubChem CID9383453
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate
SMILESC[C@@H](OC(=O)c1ccsc1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C15H14ClNO3S/c1-10(20-15(19)12-6-7-21-9-12)14(18)17-8-11-4-2-3-5-13(11)16/h2-7,9-10H,8H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyDVJMLDXXXBKLNA-SNVBAGLBSA-N
XLogP3.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(benzylamino)-1-oxopropan-2-yl] thiophene-3-carboxylate
CID 30402263
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-iodobenzoate
CID 55417735
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 46630031
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-bromobenzoate
CID 46618829
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 40726871
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11938840
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 18091472
[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 8959000
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-(furan-2-carbonylamino)benzoate
CID 46625347
[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-methylsulfanyl-3-nitrobenzoate
CID 8972668
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 46620445
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101172

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate?
The IUPAC name of [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate (CID 9383453) is [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate.
What is the SMILES notation for [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate?
The canonical SMILES for [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate is C[C@@H](OC(=O)c1ccsc1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate?
The InChIKey is DVJMLDXXXBKLNA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-10(20-15(19)12-6-7-21-9-12)14(18)17-8-11-4-2-3-5-13(11)16/h2-7,9-10H,8H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate?
[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate has a molecular weight of 323.80 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] thiophene-3-carboxylate is sourced from PubChem (CID 9383453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).