N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide

C13H18N2O3S — CID 47371741

IUPACN-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C13H18N2O3S/c1-2-19(17,18)14-9-10-4-3-5-12(8-10)15-13(16)11-6-7-11/h3-5,8,11,14H,2,6-7,9H2,1H3,(H,15,16)
InChIKeyBFBCKVPUCKRKTO-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.47
Rot. Bonds6

About N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide

N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide (PubChem CID 47371741) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide
PubChem CID47371741
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C13H18N2O3S/c1-2-19(17,18)14-9-10-4-3-5-12(8-10)15-13(16)11-6-7-11/h3-5,8,11,14H,2,6-7,9H2,1H3,(H,15,16)
InChIKeyBFBCKVPUCKRKTO-UHFFFAOYSA-N
XLogP1.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide
CID 47134978
N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide
CID 24581040
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
CID 114293194
N-[3-(ethylaminomethyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119438350
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-(methanesulfonamido)benzamide
CID 41479014
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 119438632

Frequently Asked Questions

What is the IUPAC name of N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide (CID 47371741) is N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide is CCS(=O)(=O)NCc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is BFBCKVPUCKRKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-19(17,18)14-9-10-4-3-5-12(8-10)15-13(16)11-6-7-11/h3-5,8,11,14H,2,6-7,9H2,1H3,(H,15,16).
What are the key properties of N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide?
N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 282.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 47371741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).