N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide

C18H17F2NOS — CID 18131654

IUPACN-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C18H17F2NOS/c19-15-9-8-14(10-16(15)20)23-11-17(22)21-18(13-6-7-13)12-4-2-1-3-5-12/h1-5,8-10,13,18H,6-7,11H2,(H,21,22)
InChIKeyNBSNAHBVMXJBLI-UHFFFAOYSA-N
MW333.40 g/mol
LogP4.32
Rot. Bonds6

About N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide

N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide (PubChem CID 18131654) has the molecular formula C18H17F2NOS and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
PubChem CID18131654
Molecular FormulaC18H17F2NOS
Molecular Weight333.40 g/mol
Exact Mass333.10
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NC(c1ccccc1)C1CC1
InChIInChI=1S/C18H17F2NOS/c19-15-9-8-14(10-16(15)20)23-11-17(22)21-18(13-6-7-13)12-4-2-1-3-5-12/h1-5,8-10,13,18H,6-7,11H2,(H,21,22)
InChIKeyNBSNAHBVMXJBLI-UHFFFAOYSA-N
XLogP4.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-phenylpropanoic acid
CID 99779679
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 54990911
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-methylbutanoic acid
CID 79011227
(2S)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-hydroxybutanoic acid
CID 107821669
methyl (2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-phenylpropanoate
CID 8541759
(2R)-4-amino-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-4-oxobutanoic acid
CID 107820976
2-(3,4-difluorophenyl)sulfanyl-N-(2-phenylbutyl)acetamide
CID 134008249
N-[cyclopropyl(phenyl)methyl]-2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55524395
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 7737211
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylsulfanylacetamide
CID 51150831
N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide
CID 99842975

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide (CID 18131654) is N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)c(F)c1)NC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide?
The InChIKey is NBSNAHBVMXJBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NOS/c19-15-9-8-14(10-16(15)20)23-11-17(22)21-18(13-6-7-13)12-4-2-1-3-5-12/h1-5,8-10,13,18H,6-7,11H2,(H,21,22).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide?
N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide has a molecular weight of 333.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide is sourced from PubChem (CID 18131654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).