N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide

C23H21ClN4O2S2 — CID 146794041

IUPACN-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCSCC1
InChIInChI=1S/C23H21ClN4O2S2/c24-18-5-6-20(26-14-18)27-23(30)21-17(7-10-32-21)13-19(29)15-1-3-16(4-2-15)22(25)28-8-11-31-12-9-28/h1-7,10,14,25H,8-9,11-13H2,(H,26,27,30)/b25-22-
InChIKeyRWKBOAUBJZDYPE-LVWGJNHUSA-N
MW485.03 g/mol
LogP4.85
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide (PubChem CID 146794041) has the molecular formula C23H21ClN4O2S2 and a molecular weight of 485.03 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide
PubChem CID146794041
Molecular FormulaC23H21ClN4O2S2
Molecular Weight485.03 g/mol
Exact Mass484.08
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCSCC1
InChIInChI=1S/C23H21ClN4O2S2/c24-18-5-6-20(26-14-18)27-23(30)21-17(7-10-32-21)13-19(29)15-1-3-16(4-2-15)22(25)28-8-11-31-12-9-28/h1-7,10,14,25H,8-9,11-13H2,(H,26,27,30)/b25-22-
InChIKeyRWKBOAUBJZDYPE-LVWGJNHUSA-N
XLogP4.85
TPSA86.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.03
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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N-(4-chloro-2-(5-chloropyridin-2-ylcarbamoyl)phenyl)-4-(N,N-dimethylcarbamimidoyl)thiophene-2-carboxamide
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(2-Amino-4-((4-(pyridin-2-yl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
CID 25068717
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CID 57396581
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CID 118708988
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2-(benzylsulfanyl)-N-(5-chloropyridin-2-yl)benzamide
CID 2883575
(R)-N-((2-(4-(2-(3-aminopropanamido)-3-(2,4-dichlorophenyl)propanoyl)piperazin-1-yl)pyridin-3-yl)methyl)thiophene-2-carboxamide
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1-[4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide (CID 146794041) is N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide is [H]/N=C(/c1ccc(C(=O)Cc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCSCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide?
The InChIKey is RWKBOAUBJZDYPE-LVWGJNHUSA-N. The full InChI is InChI=1S/C23H21ClN4O2S2/c24-18-5-6-20(26-14-18)27-23(30)21-17(7-10-32-21)13-19(29)15-1-3-16(4-2-15)22(25)28-8-11-31-12-9-28/h1-7,10,14,25H,8-9,11-13H2,(H,26,27,30)/b25-22-.
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide has a molecular weight of 485.03 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[2-oxo-2-[4-(thiomorpholine-4-carboximidoyl)phenyl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 146794041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).