N-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide

C17H17NOS — CID 3060099

IUPACN-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C17H17NOS/c1-18(17(19)13-7-8-13)14-9-11-16(12-10-14)20-15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3
InChIKeyYHIJAOKUOVZSMU-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.21
Rot. Bonds4

About N-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide

N-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide (PubChem CID 3060099) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide
PubChem CID3060099
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC NameN-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide
SMILESCN(C(=O)C1CC1)c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C17H17NOS/c1-18(17(19)13-7-8-13)14-9-11-16(12-10-14)20-15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3
InChIKeyYHIJAOKUOVZSMU-UHFFFAOYSA-N
XLogP4.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide (CID 3060099) is N-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide is CN(C(=O)C1CC1)c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of N-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide?
The InChIKey is YHIJAOKUOVZSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-18(17(19)13-7-8-13)14-9-11-16(12-10-14)20-15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3.
What are the key properties of N-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide?
N-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide has a molecular weight of 283.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenylsulfanylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 3060099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).