N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide

C15H22N2O4S — CID 95733866

IUPACN-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCOCCS(=O)(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-11(17-22(19,20)10-9-21-2)12-5-7-14(8-6-12)16-15(18)13-3-4-13/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyRPBYYZNCZADKHZ-LLVKDONJSA-N
MW326.42 g/mol
LogP1.66
Rot. Bonds8

About N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide

N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 95733866) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
PubChem CID95733866
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCOCCS(=O)(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-11(17-22(19,20)10-9-21-2)12-5-7-14(8-6-12)16-15(18)13-3-4-13/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,16,18)/t11-/m1/s1
InChIKeyRPBYYZNCZADKHZ-LLVKDONJSA-N
XLogP1.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 75396185
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-methoxyethanesulfonamide
CID 95733792
2-methoxy-N-(1-phenylethyl)ethanesulfonamide
CID 71683981
N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55598275
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112980891
N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595962
methyl 5-[[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]amino]-5-oxopentanoate
CID 97347644
N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55691640
N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55598955
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide (CID 95733866) is N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide is COCCS(=O)(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is RPBYYZNCZADKHZ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11(17-22(19,20)10-9-21-2)12-5-7-14(8-6-12)16-15(18)13-3-4-13/h5-8,11,13,17H,3-4,9-10H2,1-2H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 95733866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).