trans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide

C18H26N2O3S — CID 59009583

IUPACtrans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1ccccc1N(C)C)C(C)(C)C
InChIInChI=1S/C18H26N2O3S/c1-7-13-12-18(13,17(2,3)4)16(21)19-24(22,23)15-11-9-8-10-14(15)20(5)6/h7-11,13H,1,12H2,2-6H3,(H,19,21)/t13-,18-/m1/s1
InChIKeyJDILVVVDCRCCSA-FZKQIMNGSA-N
MW350.48 g/mol
LogP2.80
Rot. Bonds5

About trans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide

trans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide (PubChem CID 59009583) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is trans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide
PubChem CID59009583
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Nametrans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide
SMILESC=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1ccccc1N(C)C)C(C)(C)C
InChIInChI=1S/C18H26N2O3S/c1-7-13-12-18(13,17(2,3)4)16(21)19-24(22,23)15-11-9-8-10-14(15)20(5)6/h7-11,13H,1,12H2,2-6H3,(H,19,21)/t13-,18-/m1/s1
InChIKeyJDILVVVDCRCCSA-FZKQIMNGSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide 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

trans-(1S,2S)-1-tert-butyl-2-ethenyl-N-[(3-phenyl-3,4-dihydro-1H-isochromen-7-yl)sulfonyl]cyclopropane-1-carboxamide
CID 59009532
trans-(1S,2S)-2-ethenyl-1-ethyl-N-[2-(methylamino)phenyl]sulfonylcyclopropane-1-carboxamide
CID 89298427
trans-(1S,2S)-1-tert-butyl-2-ethenyl-N-[2-(methylamino)cyclohexyl]sulfonylcyclopropane-1-carboxamide
CID 59009607
tert-butyl N-[(1R,2S)-1-[(2-aminophenyl)sulfonylcarbamoyl]-2-ethenylcyclopropyl]carbamate;tert-butyl N-[(1R,2S)-2-ethenyl-1-[[2-(methylamino)phenyl]sulfonylcarbamoyl]cyclopropyl]carbamate
CID 158419863
trans-(1R,2S)-1-amino-2-ethenyl-N-[2-(hexylamino)phenyl]sulfonylcyclopropane-1-carboxamide
CID 143643311
cis-(1R,2S)-2-ethenyl-N-[[2-(methylamino)-3-pyridinyl]sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide
CID 59009648
N-[3-[[(1S,2S)-2-ethenyl-1-methylcyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]benzamide
CID 59665896
cis-(1R,2S)-2-ethenyl-N-[(2-oxo-1,3-dihydroindol-7-yl)sulfonyl]-1-propan-2-ylcyclopropane-1-carboxamide
CID 59009627
methyl 9-[2-[[(1S,2S)-1-amino-2-ethenylcyclopropanecarbonyl]sulfamoyl]anilino]nonanoate
CID 67542130
methyl 3-[2-[2-[2-[[(1R,2S)-2-ethenyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropanecarbonyl]sulfamoyl]anilino]ethoxy]ethoxy]propanoate;methyl 3-[2-(2-oxoethoxy)ethoxy]propanoate
CID 160901717
2-[2-(methylsulfamoyl)-N-prop-2-enylanilino]acetic acid
CID 79264806
cis-(1S,2S)-N-[(3-benzyl-2-oxo-3,4-dihydro-1H-quinolin-8-yl)sulfonyl]-2-ethenyl-1-methylcyclopropane-1-carboxamide
CID 59665732

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide (CID 59009583) is trans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide is C=C[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)c1ccccc1N(C)C)C(C)(C)C.
What is the InChIKey of trans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide?
The InChIKey is JDILVVVDCRCCSA-FZKQIMNGSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-7-13-12-18(13,17(2,3)4)16(21)19-24(22,23)15-11-9-8-10-14(15)20(5)6/h7-11,13H,1,12H2,2-6H3,(H,19,21)/t13-,18-/m1/s1.
What are the key properties of trans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide?
trans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-tert-butyl-N-[2-(dimethylamino)phenyl]sulfonyl-2-ethenylcyclopropane-1-carboxamide is sourced from PubChem (CID 59009583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).