N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide

C14H19N3O5S — CID 94108532

IUPACN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)o1
InChIInChI=1S/C14H19N3O5S/c1-15-23(19,20)13-7-6-12(22-13)14(18)16-9-10(17(2)3)11-5-4-8-21-11/h4-8,10,15H,9H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyCVLUNTVVPAJRDB-JTQLQIEISA-N
MW341.39 g/mol
LogP0.81
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide

N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide (PubChem CID 94108532) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
PubChem CID94108532
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
SMILESCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)o1
InChIInChI=1S/C14H19N3O5S/c1-15-23(19,20)13-7-6-12(22-13)14(18)16-9-10(17(2)3)11-5-4-8-21-11/h4-8,10,15H,9H2,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyCVLUNTVVPAJRDB-JTQLQIEISA-N
XLogP0.81
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 43019245
6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide
CID 26834060
N-[2-(dimethylamino)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 110476323
6-chloro-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide
CID 26834146
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 18588939
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51251068
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 119527259
4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 46426488
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide
CID 47082106

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide (CID 94108532) is N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide is CNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)o1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide?
The InChIKey is CVLUNTVVPAJRDB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-15-23(19,20)13-7-6-12(22-13)14(18)16-9-10(17(2)3)11-5-4-8-21-11/h4-8,10,15H,9H2,1-3H3,(H,16,18)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide?
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-(methylsulfamoyl)furan-2-carboxamide is sourced from PubChem (CID 94108532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).