N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide

C19H16N2O3S — CID 19318740

IUPACN-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(SCN2C(=O)c3ccccc3C2=O)c1)C1CC1
InChIInChI=1S/C19H16N2O3S/c22-17(12-8-9-12)20-13-4-3-5-14(10-13)25-11-21-18(23)15-6-1-2-7-16(15)19(21)24/h1-7,10,12H,8-9,11H2,(H,20,22)
InChIKeyDWNUYJGBCKYIRG-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.38
Rot. Bonds5

About N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide

N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide (PubChem CID 19318740) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide
PubChem CID19318740
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC NameN-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(SCN2C(=O)c3ccccc3C2=O)c1)C1CC1
InChIInChI=1S/C19H16N2O3S/c22-17(12-8-9-12)20-13-4-3-5-14(10-13)25-11-21-18(23)15-6-1-2-7-16(15)19(21)24/h1-7,10,12H,8-9,11H2,(H,20,22)
InChIKeyDWNUYJGBCKYIRG-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]furan-2-carboxamide
CID 19318751
N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299425
N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299409
N-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]cyclopropanecarboxamide
CID 110604617
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide
CID 19318759
N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide
CID 19299885
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299420
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2640778
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 18899084
ethyl 4-[[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate
CID 18901321
2-(naphthalen-2-ylsulfanylmethyl)isoindole-1,3-dione
CID 2500697

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide (CID 19318740) is N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(SCN2C(=O)c3ccccc3C2=O)c1)C1CC1.
What is the InChIKey of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide?
The InChIKey is DWNUYJGBCKYIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-17(12-8-9-12)20-13-4-3-5-14(10-13)25-11-21-18(23)15-6-1-2-7-16(15)19(21)24/h1-7,10,12H,8-9,11H2,(H,20,22).
What are the key properties of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide?
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide has a molecular weight of 352.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 19318740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).