5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide

C20H19ClN2O5S2 — CID 41312007

IUPAC5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C20H19ClN2O5S2/c21-16-4-2-1-3-15(16)17-6-7-18(28-17)20(24)22-13-14-5-8-19(29-14)30(25,26)23-9-11-27-12-10-23/h1-8H,9-13H2,(H,22,24)
InChIKeyAYEUEXLMYOGFPS-UHFFFAOYSA-N
MW466.97 g/mol
LogP3.61
Rot. Bonds6

About 5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide

5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide (PubChem CID 41312007) has the molecular formula C20H19ClN2O5S2 and a molecular weight of 466.97 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
PubChem CID41312007
Molecular FormulaC20H19ClN2O5S2
Molecular Weight466.97 g/mol
Exact Mass466.04
IUPAC Name5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C20H19ClN2O5S2/c21-16-4-2-1-3-15(16)17-6-7-18(28-17)20(24)22-13-14-5-8-19(29-14)30(25,26)23-9-11-27-12-10-23/h1-8H,9-13H2,(H,22,24)
InChIKeyAYEUEXLMYOGFPS-UHFFFAOYSA-N
XLogP3.61
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
CID 55479527
2-(3-chloro-4-methoxyphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 53112407
3-[5-(2-fluorophenyl)furan-2-yl]-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide
CID 41321896
N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 46466417
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
2-(3,4-dichlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 26061260
1-methyl-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-2-oxoquinoline-4-carboxamide
CID 55758321
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320
5-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 9083579
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 41322705
1-[(2,3-dichlorophenyl)methyl]-1-methyl-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea
CID 41191116

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide (CID 41312007) is 5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide?
The InChIKey is AYEUEXLMYOGFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5S2/c21-16-4-2-1-3-15(16)17-6-7-18(28-17)20(24)22-13-14-5-8-19(29-14)30(25,26)23-9-11-27-12-10-23/h1-8H,9-13H2,(H,22,24).
What are the key properties of 5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide?
5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide has a molecular weight of 466.97 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 41312007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).