2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide

C20H20ClN3O6S — CID 3207118

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
SMILESO=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1
InChIInChI=1S/C20H20ClN3O6S/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h1-10,23H,11-14H2,(H,22,25)
InChIKeyMMLXAGUPWBYPCW-UHFFFAOYSA-N
MW465.92 g/mol
LogP2.15
Rot. Bonds10

About 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide

2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide (PubChem CID 3207118) has the molecular formula C20H20ClN3O6S and a molecular weight of 465.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
PubChem CID3207118
Molecular FormulaC20H20ClN3O6S
Molecular Weight465.92 g/mol
Exact Mass465.08
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
SMILESO=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1
InChIInChI=1S/C20H20ClN3O6S/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h1-10,23H,11-14H2,(H,22,25)
InChIKeyMMLXAGUPWBYPCW-UHFFFAOYSA-N
XLogP2.15
TPSA121.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide (CID 3207118) is 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide is O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
The InChIKey is MMLXAGUPWBYPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O6S/c21-15-5-7-18(8-6-15)31(27,28)23-12-20(26)24(13-17-4-2-10-30-17)14-19(25)22-11-16-3-1-9-29-16/h1-10,23H,11-14H2,(H,22,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide?
2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide has a molecular weight of 465.92 g/mol, XLogP of 2.15, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 3207118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).