(2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide

C20H16F4N2O2S2 — CID 42917162

IUPAC(2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide
SMILESC=C1C(C(=O)Nc2ccc(SC(F)F)cc2)[C@H]1C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C20H16F4N2O2S2/c1-10-15(17(27)25-11-2-6-13(7-3-11)29-19(21)22)16(10)18(28)26-12-4-8-14(9-5-12)30-20(23)24/h2-9,15-16,19-20H,1H2,(H,25,27)(H,26,28)/t15-,16?/m0/s1
InChIKeyWVAKZIVLOWFRRI-VYRBHSGPSA-N
MW456.49 g/mol
LogP5.70
Rot. Bonds8

About (2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide

(2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide (PubChem CID 42917162) has the molecular formula C20H16F4N2O2S2 and a molecular weight of 456.49 g/mol. Its IUPAC name is (2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide
PubChem CID42917162
Molecular FormulaC20H16F4N2O2S2
Molecular Weight456.49 g/mol
Exact Mass456.06
IUPAC Name(2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide
SMILESC=C1C(C(=O)Nc2ccc(SC(F)F)cc2)[C@H]1C(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C20H16F4N2O2S2/c1-10-15(17(27)25-11-2-6-13(7-3-11)29-19(21)22)16(10)18(28)26-12-4-8-14(9-5-12)30-20(23)24/h2-9,15-16,19-20H,1H2,(H,25,27)(H,26,28)/t15-,16?/m0/s1
InChIKeyWVAKZIVLOWFRRI-VYRBHSGPSA-N
XLogP5.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.49
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941101
(2S)-1-N,2-N-bis(4-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177965
4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26908479
2-[[4-(difluoromethylsulfanyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978159
(2R)-N-[4-(difluoromethylsulfanyl)phenyl]oxolane-2-carboxamide
CID 8701259
2-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclopentane-1-carboxamide
CID 64824498
4-(aminomethyl)-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
CID 79511673
N-[4-(difluoromethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 43698982
(2S,4S)-N-[4-(difluoromethylsulfanyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615898
N-[4-(difluoromethylsulfanyl)phenyl]-4-methylpiperidine-2-carboxamide
CID 114422936
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119668988
1-[4-(difluoromethylsulfanyl)phenyl]-2-methylguanidine
CID 62380007

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide (CID 42917162) is (2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide is C=C1C(C(=O)Nc2ccc(SC(F)F)cc2)[C@H]1C(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of (2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide?
The InChIKey is WVAKZIVLOWFRRI-VYRBHSGPSA-N. The full InChI is InChI=1S/C20H16F4N2O2S2/c1-10-15(17(27)25-11-2-6-13(7-3-11)29-19(21)22)16(10)18(28)26-12-4-8-14(9-5-12)30-20(23)24/h2-9,15-16,19-20H,1H2,(H,25,27)(H,26,28)/t15-,16?/m0/s1.
What are the key properties of (2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide?
(2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide has a molecular weight of 456.49 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N,2-N-bis[4-(difluoromethylsulfanyl)phenyl]-3-methylidenecyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 42917162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).