trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide

C15H22N2O3S — CID 2112182

IUPACtrans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1
InChIInChI=1S/C15H22N2O3S/c1-4-17(5-2)21(19,20)13-8-6-12(7-9-13)16-15(18)14-10-11(14)3/h6-9,11,14H,4-5,10H2,1-3H3,(H,16,18)/t11-,14-/m0/s1
InChIKeyBWLLMIWFDZZVKE-FZMZJTMJSA-N
MW310.42 g/mol
LogP2.31
Rot. Bonds6

About trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 2112182) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID2112182
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Nametrans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1
InChIInChI=1S/C15H22N2O3S/c1-4-17(5-2)21(19,20)13-8-6-12(7-9-13)16-15(18)14-10-11(14)3/h6-9,11,14H,4-5,10H2,1-3H3,(H,16,18)/t11-,14-/m0/s1
InChIKeyBWLLMIWFDZZVKE-FZMZJTMJSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 2112181
cis-(1S,2R)-2-[[4-(diethylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 6978999
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189
cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 28846768
N-[4-(diethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 3155134
(2S)-N-[4-(diethylsulfamoyl)phenyl]oxolane-2-carboxamide
CID 900571
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
(3S)-N-[4-(diethylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1090883
4-N-[4-(diethylsulfamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922315
N-[4-(diethylsulfamoyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152471
N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide (CID 2112182) is trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1.
What is the InChIKey of trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is BWLLMIWFDZZVKE-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-17(5-2)21(19,20)13-8-6-12(7-9-13)16-15(18)14-10-11(14)3/h6-9,11,14H,4-5,10H2,1-3H3,(H,16,18)/t11-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 2112182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).