N-(2-ethyl-4-methylsulfanylphenyl)formamide

C10H13NOS — CID 162524929

IUPACN-(2-ethyl-4-methylsulfanylphenyl)formamide
SMILESCCc1cc(SC)ccc1NC=O
InChIInChI=1S/C10H13NOS/c1-3-8-6-9(13-2)4-5-10(8)11-7-12/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyCDONEWKRTSETAK-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.54
Rot. Bonds4

About N-(2-ethyl-4-methylsulfanylphenyl)formamide

N-(2-ethyl-4-methylsulfanylphenyl)formamide (PubChem CID 162524929) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(2-ethyl-4-methylsulfanylphenyl)formamide.

Molecular Properties

Compound NameN-(2-ethyl-4-methylsulfanylphenyl)formamide
PubChem CID162524929
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN-(2-ethyl-4-methylsulfanylphenyl)formamide
SMILESCCc1cc(SC)ccc1NC=O
InChIInChI=1S/C10H13NOS/c1-3-8-6-9(13-2)4-5-10(8)11-7-12/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyCDONEWKRTSETAK-UHFFFAOYSA-N
XLogP2.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethyl-4-methylsulfanylphenyl)acetonitrile
CID 91881729
N-(2-ethyl-5-methylsulfanylphenyl)acetamide
CID 91881108
2-bromo-1-ethyl-4-methylsulfanylbenzene
CID 91880744
1-(2-ethyl-4-methylsulfanylphenyl)-N,N-dimethylmethanamine
CID 143321759
3-(2-fluoro-5-methylsulfanylphenyl)propanal
CID 117117792
3-(2-chloro-5-methylsulfanylphenyl)propanal
CID 117306128
N-(3-chloro-4-ethyl-2-hydroxyphenyl)formamide
CID 89327281
methyl 2-ethyl-5-methylsulfanylbenzoate
CID 91880894
N-(3-ethyl-4-hydroxyphenyl)formamide
CID 130016232
3-ethyl-5-methylsulfanyl-1-benzothiophene
CID 146510134
ethane;3-ethyl-5-methylsulfanyl-1H-indole
CID 142069450
1-ethyl-4-methylsulfanylbenzene
CID 142218139

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-methylsulfanylphenyl)formamide?
The IUPAC name of N-(2-ethyl-4-methylsulfanylphenyl)formamide (CID 162524929) is N-(2-ethyl-4-methylsulfanylphenyl)formamide.
What is the SMILES notation for N-(2-ethyl-4-methylsulfanylphenyl)formamide?
The canonical SMILES for N-(2-ethyl-4-methylsulfanylphenyl)formamide is CCc1cc(SC)ccc1NC=O.
What is the InChIKey of N-(2-ethyl-4-methylsulfanylphenyl)formamide?
The InChIKey is CDONEWKRTSETAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-3-8-6-9(13-2)4-5-10(8)11-7-12/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of N-(2-ethyl-4-methylsulfanylphenyl)formamide?
N-(2-ethyl-4-methylsulfanylphenyl)formamide has a molecular weight of 195.29 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-methylsulfanylphenyl)formamide is sourced from PubChem (CID 162524929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).