N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

C24H25N3O5S2 — CID 24668619

IUPACN-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESO=C(NC(C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1)c1cccs1
InChIInChI=1S/C24H25N3O5S2/c28-23(20-10-6-16-33-20)26-22(18-7-2-1-3-8-18)24(29)25-17-19-9-4-5-11-21(19)34(30,31)27-12-14-32-15-13-27/h1-11,16,22H,12-15,17H2,(H,25,29)(H,26,28)
InChIKeyBOBBFEMNWFPZEV-UHFFFAOYSA-N
MW499.61 g/mol
LogP2.56
Rot. Bonds8

About N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide

N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 24668619) has the molecular formula C24H25N3O5S2 and a molecular weight of 499.61 g/mol. Its IUPAC name is N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
PubChem CID24668619
Molecular FormulaC24H25N3O5S2
Molecular Weight499.61 g/mol
Exact Mass499.12
IUPAC NameN-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESO=C(NC(C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1)c1cccs1
InChIInChI=1S/C24H25N3O5S2/c28-23(20-10-6-16-33-20)26-22(18-7-2-1-3-8-18)24(29)25-17-19-9-4-5-11-21(19)34(30,31)27-12-14-32-15-13-27/h1-11,16,22H,12-15,17H2,(H,25,29)(H,26,28)
InChIKeyBOBBFEMNWFPZEV-UHFFFAOYSA-N
XLogP2.56
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide (CID 24668619) is N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is O=C(NC(C(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)c1ccccc1)c1cccs1.
What is the InChIKey of N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is BOBBFEMNWFPZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S2/c28-23(20-10-6-16-33-20)26-22(18-7-2-1-3-8-18)24(29)25-17-19-9-4-5-11-21(19)34(30,31)27-12-14-32-15-13-27/h1-11,16,22H,12-15,17H2,(H,25,29)(H,26,28).
What are the key properties of N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 499.61 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24668619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).