N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide

C18H18N2O3S — CID 35540858

IUPACN-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)C1CC1
InChIInChI=1S/C18H18N2O3S/c21-18(15-9-10-15)19-16-7-4-8-17(13-16)20-24(22,23)12-11-14-5-2-1-3-6-14/h1-8,11-13,15,20H,9-10H2,(H,19,21)/b12-11+
InChIKeyNQERAWHYVAUMSL-VAWYXSNFSA-N
MW342.42 g/mol
LogP3.45
Rot. Bonds6

About N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide

N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide (PubChem CID 35540858) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide
PubChem CID35540858
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)C1CC1
InChIInChI=1S/C18H18N2O3S/c21-18(15-9-10-15)19-16-7-4-8-17(13-16)20-24(22,23)12-11-14-5-2-1-3-6-14/h1-8,11-13,15,20H,9-10H2,(H,19,21)/b12-11+
InChIKeyNQERAWHYVAUMSL-VAWYXSNFSA-N
XLogP3.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate
CID 4741044
N-(3-formylphenyl)cyclopropanecarboxamide
CID 106912504
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069
(E)-N-(3-cyclopentyloxyphenyl)-2-phenylethenesulfonamide
CID 35547764
N-(3-nitrophenyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 9410934
1-[(E)-2-phenylethenyl]sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 26087824
N-[3-(phenylcarbamothioylamino)phenyl]cyclopropanecarboxamide
CID 45365632
methyl 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]prop-2-enoate
CID 67019599
N-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541103
N-[3-(sulfamoylamino)phenyl]cyclohexanecarboxamide
CID 60729878
N-[3-[4-(2-phenylethenylsulfonyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55648219

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide (CID 35540858) is N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1)C1CC1.
What is the InChIKey of N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is NQERAWHYVAUMSL-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-18(15-9-10-15)19-16-7-4-8-17(13-16)20-24(22,23)12-11-14-5-2-1-3-6-14/h1-8,11-13,15,20H,9-10H2,(H,19,21)/b12-11+.
What are the key properties of N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide?
N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 35540858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).