N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide

C19H21ClFNOS — CID 4240546

IUPACN-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
SMILESCCCCc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H21ClFNOS/c1-2-3-5-14-8-10-15(11-9-14)22-19(23)13-24-12-16-17(20)6-4-7-18(16)21/h4,6-11H,2-3,5,12-13H2,1H3,(H,22,23)
InChIKeyFHIRTVSPQFYACQ-UHFFFAOYSA-N
MW365.90 g/mol
LogP5.69
Rot. Bonds8

About N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide

N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 4240546) has the molecular formula C19H21ClFNOS and a molecular weight of 365.90 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
PubChem CID4240546
Molecular FormulaC19H21ClFNOS
Molecular Weight365.90 g/mol
Exact Mass365.10
IUPAC NameN-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
SMILESCCCCc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C19H21ClFNOS/c1-2-3-5-14-8-10-15(11-9-14)22-19(23)13-24-12-16-17(20)6-4-7-18(16)21/h4,6-11H,2-3,5,12-13H2,1H3,(H,22,23)
InChIKeyFHIRTVSPQFYACQ-UHFFFAOYSA-N
XLogP5.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 3931148
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 94726162
N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2206380
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
CID 2230214
3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 53278977
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 126411795
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3909641
2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
CID 2228588
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2243188
2-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-N-propylbenzamide
CID 2235778
2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide
CID 82180180
N-(4-butylphenyl)-2-(2-fluorophenyl)acetamide
CID 100635724

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide (CID 4240546) is N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide is CCCCc1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is FHIRTVSPQFYACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFNOS/c1-2-3-5-14-8-10-15(11-9-14)22-19(23)13-24-12-16-17(20)6-4-7-18(16)21/h4,6-11H,2-3,5,12-13H2,1H3,(H,22,23).
What are the key properties of N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide?
N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 365.90 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 4240546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).