cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide

C14H20N2O3S — CID 28846768

IUPACcis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1
InChIInChI=1S/C14H20N2O3S/c1-3-8-15-20(18,19)12-6-4-11(5-7-12)16-14(17)13-9-10(13)2/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17)/t10-,13+/m0/s1
InChIKeyXNIHNWXGMSHPGO-GXFFZTMASA-N
MW296.39 g/mol
LogP1.97
Rot. Bonds6

About cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 28846768) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide
PubChem CID28846768
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Namecis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide
SMILESCCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1
InChIInChI=1S/C14H20N2O3S/c1-3-8-15-20(18,19)12-6-4-11(5-7-12)16-14(17)13-9-10(13)2/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17)/t10-,13+/m0/s1
InChIKeyXNIHNWXGMSHPGO-GXFFZTMASA-N
XLogP1.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(propylsulfamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974955
N-[4-(propylsulfamoyl)phenyl]oxane-4-carboxamide
CID 134062227
trans-(1R,2R)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 2112181
trans-(1S,2S)-N-[4-(diethylsulfamoyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 2112182
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
2,2,2-trichloro-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 17320825
2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide
CID 43507733
N-[4-(propylsulfamoyl)phenyl]piperidine-1-carboxamide
CID 2987866
(1S,2S,4S)-N-[4-(ethylsulfamoyl)phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 99803971
trans-(1S,2S)-2-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 9343886
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide (CID 28846768) is cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide is CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1.
What is the InChIKey of cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is XNIHNWXGMSHPGO-GXFFZTMASA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-8-15-20(18,19)12-6-4-11(5-7-12)16-14(17)13-9-10(13)2/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17)/t10-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methyl-N-[4-(propylsulfamoyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 28846768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).