trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide

C16H19Cl2NO3S — CID 95784529

IUPACtrans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C16H19Cl2NO3S/c1-19(11-4-6-23(21,22)7-5-11)16(20)13-9-12(13)10-2-3-14(17)15(18)8-10/h2-3,8,11-13H,4-7,9H2,1H3/t12-,13+/m0/s1
InChIKeyIRZUJWVNMWQCPT-QWHCGFSZSA-N
MW376.31 g/mol
LogP3.13
Rot. Bonds3

About trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide

trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide (PubChem CID 95784529) has the molecular formula C16H19Cl2NO3S and a molecular weight of 376.31 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide
PubChem CID95784529
Molecular FormulaC16H19Cl2NO3S
Molecular Weight376.31 g/mol
Exact Mass375.05
IUPAC Nametrans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C16H19Cl2NO3S/c1-19(11-4-6-23(21,22)7-5-11)16(20)13-9-12(13)10-2-3-14(17)15(18)8-10/h2-3,8,11-13H,4-7,9H2,1H3/t12-,13+/m0/s1
InChIKeyIRZUJWVNMWQCPT-QWHCGFSZSA-N
XLogP3.13
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 119442332
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanone
CID 43150273
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
trans-(1R,2R)-N,N-bis(cyanomethyl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95247693
2-(3,4-dichlorophenyl)-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride
CID 119824177
2-(3,4-difluorophenyl)-N-methyl-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 119443668
2-(2-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
CID 55474890
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 95247432
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-methylpropyl]cyclopropane-1-carboxamide
CID 95244980
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 95247590
N-(1,1-dioxothian-4-yl)-6-fluoro-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70752414
N-(1-amino-2-methylpropan-2-yl)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 119522635

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide (CID 95784529) is trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide is CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1)C1CCS(=O)(=O)CC1.
What is the InChIKey of trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is IRZUJWVNMWQCPT-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H19Cl2NO3S/c1-19(11-4-6-23(21,22)7-5-11)16(20)13-9-12(13)10-2-3-14(17)15(18)8-10/h2-3,8,11-13H,4-7,9H2,1H3/t12-,13+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 376.31 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3,4-dichlorophenyl)-N-(1,1-dioxothian-4-yl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 95784529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).