N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide

C16H17FN2OS — CID 134042036

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CSc1ccccn1
InChIInChI=1S/C16H17FN2OS/c1-12(13-6-8-14(17)9-7-13)19(2)16(20)11-21-15-5-3-4-10-18-15/h3-10,12H,11H2,1-2H3
InChIKeyVMNRGQKLRWBDNR-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.53
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide

N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide (PubChem CID 134042036) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
PubChem CID134042036
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)CSc1ccccn1
InChIInChI=1S/C16H17FN2OS/c1-12(13-6-8-14(17)9-7-13)19(2)16(20)11-21-15-5-3-4-10-18-15/h3-10,12H,11H2,1-2H3
InChIKeyVMNRGQKLRWBDNR-UHFFFAOYSA-N
XLogP3.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 113219837
N,N-bis(2-methylpropyl)-2-pyridin-2-ylsulfanylacetamide
CID 47095623
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 46670040
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 78824888
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46692849
2-(cyanomethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 51078766
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24571115
2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide
CID 9347230
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)propanamide
CID 18103199
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-pyridin-2-ylsulfanylacetamide
CID 9347590
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
CID 47092024
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24569030

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide (CID 134042036) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide is CC(c1ccc(F)cc1)N(C)C(=O)CSc1ccccn1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is VMNRGQKLRWBDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-12(13-6-8-14(17)9-7-13)19(2)16(20)11-21-15-5-3-4-10-18-15/h3-10,12H,11H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 304.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 134042036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).