2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide

C15H15N3O6S — CID 8886770

IUPAC2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide
SMILESCOc1ccc(O[C@@H](C)C(=O)Nc2sccc2C(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O6S/c1-8(14(20)17-15-10(13(16)19)5-6-25-15)24-12-4-3-9(23-2)7-11(12)18(21)22/h3-8H,1-2H3,(H2,16,19)(H,17,20)/t8-/m0/s1
InChIKeyGEHJOIWAGOSPOP-QMMMGPOBSA-N
MW365.37 g/mol
LogP2.17
Rot. Bonds7

About 2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide

2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide (PubChem CID 8886770) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide
PubChem CID8886770
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide
SMILESCOc1ccc(O[C@@H](C)C(=O)Nc2sccc2C(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O6S/c1-8(14(20)17-15-10(13(16)19)5-6-25-15)24-12-4-3-9(23-2)7-11(12)18(21)22/h3-8H,1-2H3,(H2,16,19)(H,17,20)/t8-/m0/s1
InChIKeyGEHJOIWAGOSPOP-QMMMGPOBSA-N
XLogP2.17
TPSA133.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(4-methoxy-2-nitrophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941065
(2S)-2-(4-methoxy-2-nitrophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41176243
(2R)-2-(4-methoxy-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 7473538
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-methoxybenzoate
CID 41259825
(2S)-N-(3-chloro-2-methylphenyl)-2-(4-methoxy-2-nitrophenoxy)propanamide
CID 8886627
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate
CID 55546376
N-[4-[2-(4-methoxy-2-nitrophenoxy)propanoyl]phenyl]acetamide
CID 154763377
2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 27971673
(2R)-2-(4-chloro-2-nitrophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7990797
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 8985455
(2R)-2-(2-bromo-4-fluorophenoxy)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 8728702
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-(difluoromethoxy)-5-methoxy-2-nitrobenzoate
CID 41407219

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide (CID 8886770) is 2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide is COc1ccc(O[C@@H](C)C(=O)Nc2sccc2C(N)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is GEHJOIWAGOSPOP-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H15N3O6S/c1-8(14(20)17-15-10(13(16)19)5-6-25-15)24-12-4-3-9(23-2)7-11(12)18(21)22/h3-8H,1-2H3,(H2,16,19)(H,17,20)/t8-/m0/s1.
What are the key properties of 2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide?
2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 8886770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).