trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide

C15H22N2O3S — CID 97023057

IUPACtrans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C15H22N2O3S/c1-10-9-11(10)14(18)16-12-7-5-6-8-13(12)21(19,20)17-15(2,3)4/h5-8,10-11,17H,9H2,1-4H3,(H,16,18)/t10-,11-/m0/s1
InChIKeyYJETVVXCYLVIFI-QWRGUYRKSA-N
MW310.42 g/mol
LogP2.36
Rot. Bonds4

About trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 97023057) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID97023057
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Nametrans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C15H22N2O3S/c1-10-9-11(10)14(18)16-12-7-5-6-8-13(12)21(19,20)17-15(2,3)4/h5-8,10-11,17H,9H2,1-4H3,(H,16,18)/t10-,11-/m0/s1
InChIKeyYJETVVXCYLVIFI-QWRGUYRKSA-N
XLogP2.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide
CID 168521035
N-[2-(bromomethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114309765
N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 56783782
N-[2-(1-chloroethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114304921
2-[[2-(methanesulfonamido)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974718
trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 51931889
1-[[2-(tert-butylsulfamoyl)phenyl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122079995
N-[2-(tert-butylsulfamoyl)phenyl]-2-(2-phenylethoxy)acetamide
CID 86872196
N-[3-(tert-butylsulfamoyl)-2-methylphenyl]benzamide
CID 71874763
N-(2-bromo-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 103819502
N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86840883
trans-(1S,2S)-N-(2-acetamidophenyl)sulfonyl-2-ethenylcyclopropane-1-carboxamide
CID 143563480

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide (CID 97023057) is trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is YJETVVXCYLVIFI-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-9-11(10)14(18)16-12-7-5-6-8-13(12)21(19,20)17-15(2,3)4/h5-8,10-11,17H,9H2,1-4H3,(H,16,18)/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[2-(tert-butylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 97023057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).