N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide

C15H18N2O4S — CID 95336916

IUPACN,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H18N2O4S/c1-10(12-5-4-6-13(9-12)22(16,19)20)17(3)15(18)14-7-8-21-11(14)2/h4-10H,1-3H3,(H2,16,19,20)/t10-/m0/s1
InChIKeyNSYAEYSMDBQCST-JTQLQIEISA-N
MW322.39 g/mol
LogP2.07
Rot. Bonds4

About N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide

N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide (PubChem CID 95336916) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
PubChem CID95336916
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H18N2O4S/c1-10(12-5-4-6-13(9-12)22(16,19)20)17(3)15(18)14-7-8-21-11(14)2/h4-10H,1-3H3,(H2,16,19,20)/t10-/m0/s1
InChIKeyNSYAEYSMDBQCST-JTQLQIEISA-N
XLogP2.07
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide (CID 95336916) is N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide is Cc1occc1C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide?
The InChIKey is NSYAEYSMDBQCST-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10(12-5-4-6-13(9-12)22(16,19)20)17(3)15(18)14-7-8-21-11(14)2/h4-10H,1-3H3,(H2,16,19,20)/t10-/m0/s1.
What are the key properties of N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide?
N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 95336916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).