N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide

C16H19NO4S — CID 56684324

IUPACN,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO4S/c1-11(13-5-7-14(8-6-13)22(4,19)20)17(3)16(18)15-9-10-21-12(15)2/h5-11H,1-4H3
InChIKeyIPNHLVQXRDLMRS-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.82
Rot. Bonds4

About N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide

N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide (PubChem CID 56684324) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide
PubChem CID56684324
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H19NO4S/c1-11(13-5-7-14(8-6-13)22(4,19)20)17(3)16(18)15-9-10-21-12(15)2/h5-11H,1-4H3
InChIKeyIPNHLVQXRDLMRS-UHFFFAOYSA-N
XLogP2.82
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide (CID 56684324) is N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide is Cc1occc1C(=O)N(C)C(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide?
The InChIKey is IPNHLVQXRDLMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-11(13-5-7-14(8-6-13)22(4,19)20)17(3)16(18)15-9-10-21-12(15)2/h5-11H,1-4H3.
What are the key properties of N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide?
N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 56684324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).