N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide

C18H19NOS — CID 7925847

IUPACN-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(C)c(Sc2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C18H19NOS/c1-12-3-4-13(2)17(11-12)21-16-9-7-15(8-10-16)19-18(20)14-5-6-14/h3-4,7-11,14H,5-6H2,1-2H3,(H,19,20)
InChIKeyVTCURFRNCBZRJK-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.80
Rot. Bonds4

About N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide

N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 7925847) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide
PubChem CID7925847
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC NameN-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide
SMILESCc1ccc(C)c(Sc2ccc(NC(=O)C3CC3)cc2)c1
InChIInChI=1S/C18H19NOS/c1-12-3-4-13(2)17(11-12)21-16-9-7-15(8-10-16)19-18(20)14-5-6-14/h3-4,7-11,14H,5-6H2,1-2H3,(H,19,20)
InChIKeyVTCURFRNCBZRJK-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55646908
2-cyclopentylsulfanyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
CID 7825723
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropanecarboxamide
CID 15079946
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-nitrobenzamide
CID 7925842
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
CID 110778678
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 30840212
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 16551751
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051576
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52694433
4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782954
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide (CID 7925847) is N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide is Cc1ccc(C)c(Sc2ccc(NC(=O)C3CC3)cc2)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is VTCURFRNCBZRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-12-3-4-13(2)17(11-12)21-16-9-7-15(8-10-16)19-18(20)14-5-6-14/h3-4,7-11,14H,5-6H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide?
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 297.42 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 7925847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).