N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide

C18H20N2O2S — CID 124926919

IUPACN-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide
SMILESCc1cc(Sc2cc(C)c(NC=O)c(C)c2)cc(C)c1NC=O
InChIInChI=1S/C18H20N2O2S/c1-11-5-15(6-12(2)17(11)19-9-21)23-16-7-13(3)18(20-10-22)14(4)8-16/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyMQTFHWNBYWMRFN-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.21
Rot. Bonds6

About N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide

N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide (PubChem CID 124926919) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide.

Molecular Properties

Compound NameN-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide
PubChem CID124926919
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide
SMILESCc1cc(Sc2cc(C)c(NC=O)c(C)c2)cc(C)c1NC=O
InChIInChI=1S/C18H20N2O2S/c1-11-5-15(6-12(2)17(11)19-9-21)23-16-7-13(3)18(20-10-22)14(4)8-16/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyMQTFHWNBYWMRFN-UHFFFAOYSA-N
XLogP4.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide?
The IUPAC name of N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide (CID 124926919) is N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide.
What is the SMILES notation for N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide?
The canonical SMILES for N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide is Cc1cc(Sc2cc(C)c(NC=O)c(C)c2)cc(C)c1NC=O.
What is the InChIKey of N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide?
The InChIKey is MQTFHWNBYWMRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-11-5-15(6-12(2)17(11)19-9-21)23-16-7-13(3)18(20-10-22)14(4)8-16/h5-10H,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide?
N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide has a molecular weight of 328.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-formamido-3,5-dimethylphenyl)sulfanyl-2,6-dimethylphenyl]formamide is sourced from PubChem (CID 124926919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).