trans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide

C19H22N2O3S — CID 158340144

IUPACtrans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
SMILESCN(C(=O)[C@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-19(2)16(13-9-11-15(12-10-13)25(20,23)24)17(19)18(22)21(3)14-7-5-4-6-8-14/h4-12,16-17H,1-3H3,(H2,20,23,24)/t16-,17+/m0/s1
InChIKeyGRBFRPSQHDQLII-DLBZAZTESA-N
MW358.46 g/mol
LogP2.74
Rot. Bonds4

About trans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide

trans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide (PubChem CID 158340144) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is trans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
PubChem CID158340144
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Nametrans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide
SMILESCN(C(=O)[C@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C)c1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-19(2)16(13-9-11-15(12-10-13)25(20,23)24)17(19)18(22)21(3)14-7-5-4-6-8-14/h4-12,16-17H,1-3H3,(H2,20,23,24)/t16-,17+/m0/s1
InChIKeyGRBFRPSQHDQLII-DLBZAZTESA-N
XLogP2.74
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide (CID 158340144) is trans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide is CN(C(=O)[C@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C)c1ccccc1.
What is the InChIKey of trans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
The InChIKey is GRBFRPSQHDQLII-DLBZAZTESA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-19(2)16(13-9-11-15(12-10-13)25(20,23)24)17(19)18(22)21(3)14-7-5-4-6-8-14/h4-12,16-17H,1-3H3,(H2,20,23,24)/t16-,17+/m0/s1.
What are the key properties of trans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide?
trans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-N,2,2-trimethyl-N-phenyl-3-(4-sulfamoylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158340144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).