N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C18H21N3O5S2 — CID 55633494

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESNC(=O)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C18H21N3O5S2/c19-16(22)12-27-15-7-3-2-6-13(15)20-18(23)14-8-9-17(26-14)28(24,25)21-10-4-1-5-11-21/h2-3,6-9H,1,4-5,10-12H2,(H2,19,22)(H,20,23)
InChIKeyRJOFDEQUWBKHOL-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.28
Rot. Bonds7

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55633494) has the molecular formula C18H21N3O5S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55633494
Molecular FormulaC18H21N3O5S2
Molecular Weight423.52 g/mol
Exact Mass423.09
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESNC(=O)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
InChIInChI=1S/C18H21N3O5S2/c19-16(22)12-27-15-7-3-2-6-13(15)20-18(23)14-8-9-17(26-14)28(24,25)21-10-4-1-5-11-21/h2-3,6-9H,1,4-5,10-12H2,(H2,19,22)(H,20,23)
InChIKeyRJOFDEQUWBKHOL-UHFFFAOYSA-N
XLogP2.28
TPSA122.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
ethyl 5-[4-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55668655
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 55452760
5-piperidin-1-ylsulfonyl-N-(2-propoxyphenyl)furan-2-carboxamide
CID 46411239
N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 84578663
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55660521
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 17424931
methyl 2-hydroxy-3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]benzoate
CID 56576104
N-(2,4-dibromophenyl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55631341
N-[2-methyl-3-(methylcarbamoyl)phenyl]-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46461599
3-[(5-piperidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoic acid
CID 75417895
ethyl 5-[4-[(2-methylsulfanylphenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55667340

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 55633494) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide is NC(=O)CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is RJOFDEQUWBKHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S2/c19-16(22)12-27-15-7-3-2-6-13(15)20-18(23)14-8-9-17(26-14)28(24,25)21-10-4-1-5-11-21/h2-3,6-9H,1,4-5,10-12H2,(H2,19,22)(H,20,23).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55633494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).