N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide

C19H20N2O2S — CID 25276318

IUPACN-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H20N2O2S/c22-18(12-13-24-17-4-2-1-3-5-17)20-15-8-10-16(11-9-15)21-19(23)14-6-7-14/h1-5,8-11,14H,6-7,12-13H2,(H,20,22)(H,21,23)
InChIKeyMNPLSAMTAIXBJX-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.16
Rot. Bonds7

About N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide

N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide (PubChem CID 25276318) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide
PubChem CID25276318
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H20N2O2S/c22-18(12-13-24-17-4-2-1-3-5-17)20-15-8-10-16(11-9-15)21-19(23)14-6-7-14/h1-5,8-11,14H,6-7,12-13H2,(H,20,22)(H,21,23)
InChIKeyMNPLSAMTAIXBJX-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide
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CID 55834610
3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide
CID 31444384
N-[4-(4-hydroxypentanoylamino)phenyl]cyclopropanecarboxamide
CID 79193207
N-[4-(2-amino-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide
CID 19317764
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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide (CID 25276318) is N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide is O=C(CCSc1ccccc1)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is MNPLSAMTAIXBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-18(12-13-24-17-4-2-1-3-5-17)20-15-8-10-16(11-9-15)21-19(23)14-6-7-14/h1-5,8-11,14H,6-7,12-13H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide?
N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 340.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenylsulfanylpropanoylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 25276318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).