N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide

C13H17NOS — CID 110778678

IUPACN-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
SMILESCC(C)Sc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C13H17NOS/c1-9(2)16-12-7-5-11(6-8-12)14-13(15)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,14,15)
InChIKeyGGEBOIOGPORTEB-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.54
Rot. Bonds4

About N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide

N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide (PubChem CID 110778678) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
PubChem CID110778678
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide
SMILESCC(C)Sc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C13H17NOS/c1-9(2)16-12-7-5-11(6-8-12)14-13(15)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,14,15)
InChIKeyGGEBOIOGPORTEB-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
(4-propan-2-ylsulfanylphenyl)carbamic acid
CID 115170656
4-(cyclopropanecarbonylamino)-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 26908479
N-[4-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 22777234
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516
N-[4-(3-methylbut-1-ynyl)phenyl]cyclopropanecarboxamide
CID 172601240
4-amino-N-(4-methylsulfanylphenyl)cyclohexane-1-carboxamide
CID 60847909
N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 41228079
4-(aminomethyl)-N-[4-(difluoromethylsulfanyl)phenyl]cyclohexane-1-carboxamide
CID 79511673
N-[4-(2-methoxypropanoylamino)phenyl]cyclopropanecarboxamide
CID 112685719
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide (CID 110778678) is N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide is CC(C)Sc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide?
The InChIKey is GGEBOIOGPORTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-9(2)16-12-7-5-11(6-8-12)14-13(15)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,14,15).
What are the key properties of N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide?
N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide has a molecular weight of 235.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylsulfanylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 110778678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).