[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate

C17H18Cl2N2O3S — CID 7683618

IUPAC[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)sc1C
InChIInChI=1S/C17H18Cl2N2O3S/c1-4-5-11-6-14(25-10(11)3)17(23)24-9(2)16(22)21-15-13(19)7-12(18)8-20-15/h6-9H,4-5H2,1-3H3,(H,20,21,22)/t9-/m0/s1
InChIKeyRBRRUCWTABFYHB-VIFPVBQESA-N
MW401.32 g/mol
LogP4.89
Rot. Bonds6

About [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate

[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate (PubChem CID 7683618) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate
PubChem CID7683618
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)sc1C
InChIInChI=1S/C17H18Cl2N2O3S/c1-4-5-11-6-14(25-10(11)3)17(23)24-9(2)16(22)21-15-13(19)7-12(18)8-20-15/h6-9H,4-5H2,1-3H3,(H,20,21,22)/t9-/m0/s1
InChIKeyRBRRUCWTABFYHB-VIFPVBQESA-N
XLogP4.89
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 8850806
(1-anilino-1-oxopropan-2-yl) 5-methyl-4-propylthiophene-2-carboxylate
CID 16516818
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8912224
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-tert-butylbenzoate
CID 7814807
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624812
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 2584593
[(2S)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate
CID 8576157
[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate
CID 8576163
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 2513518
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methoxybenzoate
CID 2510423
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 16512780
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 4652502

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate?
The IUPAC name of [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate (CID 7683618) is [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate.
What is the SMILES notation for [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate?
The canonical SMILES for [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate is CCCc1cc(C(=O)O[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)sc1C.
What is the InChIKey of [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate?
The InChIKey is RBRRUCWTABFYHB-VIFPVBQESA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-4-5-11-6-14(25-10(11)3)17(23)24-9(2)16(22)21-15-13(19)7-12(18)8-20-15/h6-9H,4-5H2,1-3H3,(H,20,21,22)/t9-/m0/s1.
What are the key properties of [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate?
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate has a molecular weight of 401.32 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-4-propylthiophene-2-carboxylate is sourced from PubChem (CID 7683618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).