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

C21H23N3O5S2 — CID 3206934

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C21H23N3O5S2/c1-16-6-8-19(9-7-16)31(27,28)23-13-21(26)24(14-18-5-3-11-30-18)15-20(25)22-12-17-4-2-10-29-17/h2-11,23H,12-15H2,1H3,(H,22,25)
InChIKeyGURHEAUJUYXNRS-UHFFFAOYSA-N
MW461.57 g/mol
LogP2.27
Rot. Bonds10

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

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3206934) has the molecular formula C21H23N3O5S2 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3206934
Molecular FormulaC21H23N3O5S2
Molecular Weight461.57 g/mol
Exact Mass461.11
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)Cc2cccs2)cc1
InChIInChI=1S/C21H23N3O5S2/c1-16-6-8-19(9-7-16)31(27,28)23-13-21(26)24(14-18-5-3-11-30-18)15-20(25)22-12-17-4-2-10-29-17/h2-11,23H,12-15H2,1H3,(H,22,25)
InChIKeyGURHEAUJUYXNRS-UHFFFAOYSA-N
XLogP2.27
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 3206934) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)Cc2cccs2)cc1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GURHEAUJUYXNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S2/c1-16-6-8-19(9-7-16)31(27,28)23-13-21(26)24(14-18-5-3-11-30-18)15-20(25)22-12-17-4-2-10-29-17/h2-11,23H,12-15H2,1H3,(H,22,25).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 461.57 g/mol, XLogP of 2.27, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3206934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).