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

C23H18N2O3S — CID 19318756

IUPACN-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(SCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H18N2O3S/c26-21(13-16-7-2-1-3-8-16)24-17-9-6-10-18(14-17)29-15-25-22(27)19-11-4-5-12-20(19)23(25)28/h1-12,14H,13,15H2,(H,24,26)
InChIKeyGHMQYLYUJCNFCW-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.21
Rot. Bonds6

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

N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide (PubChem CID 19318756) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide
PubChem CID19318756
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC NameN-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1cccc(SCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C23H18N2O3S/c26-21(13-16-7-2-1-3-8-16)24-17-9-6-10-18(14-17)29-15-25-22(27)19-11-4-5-12-20(19)23(25)28/h1-12,14H,13,15H2,(H,24,26)
InChIKeyGHMQYLYUJCNFCW-UHFFFAOYSA-N
XLogP4.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.21
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-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide
CID 19318740
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-3-methylbenzamide
CID 19318759
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2640778
ethyl 2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetate
CID 19318459
N-[(Z)-3-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]anilino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 19300715
N-[3-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 18905949
N-[3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylphenyl]-2-phenylacetamide
CID 19299704
2-(naphthalen-2-ylsulfanylmethyl)isoindole-1,3-dione
CID 2500697
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide
CID 46736705
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(3-fluorophenyl)acetamide
CID 110343512
2-benzyl-N-(3-methylsulfanylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9403087

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide (CID 19318756) is N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cccc(SCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide?
The InChIKey is GHMQYLYUJCNFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c26-21(13-16-7-2-1-3-8-16)24-17-9-6-10-18(14-17)29-15-25-22(27)19-11-4-5-12-20(19)23(25)28/h1-12,14H,13,15H2,(H,24,26).
What are the key properties of N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide?
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]-2-phenylacetamide has a molecular weight of 402.48 g/mol, XLogP of 4.21, 6 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]-2-phenylacetamide is sourced from PubChem (CID 19318756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).