5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide

C14H17N3O4S — CID 164632987

IUPAC5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)c1ccccn1
InChIInChI=1S/C14H17N3O4S/c1-10(12-6-4-5-7-15-12)16-14(18)11-8-13(21-9-11)22(19,20)17(2)3/h4-10H,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyDPBJUAFTQWNJQC-JTQLQIEISA-N
MW323.37 g/mol
LogP1.42
Rot. Bonds5

About 5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide

5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide (PubChem CID 164632987) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide
PubChem CID164632987
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide
SMILESC[C@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)c1ccccn1
InChIInChI=1S/C14H17N3O4S/c1-10(12-6-4-5-7-15-12)16-14(18)11-8-13(21-9-11)22(19,20)17(2)3/h4-10H,1-3H3,(H,16,18)/t10-/m0/s1
InChIKeyDPBJUAFTQWNJQC-JTQLQIEISA-N
XLogP1.42
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide?
The IUPAC name of 5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide (CID 164632987) is 5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide is C[C@H](NC(=O)c1coc(S(=O)(=O)N(C)C)c1)c1ccccn1.
What is the InChIKey of 5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide?
The InChIKey is DPBJUAFTQWNJQC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-10(12-6-4-5-7-15-12)16-14(18)11-8-13(21-9-11)22(19,20)17(2)3/h4-10H,1-3H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide?
5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-N-[(1S)-1-pyridin-2-ylethyl]furan-3-carboxamide is sourced from PubChem (CID 164632987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).