N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide

C18H18ClNO2S — CID 7434036

IUPACN-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO2S/c1-2-3-18(22)20-15-8-4-13(5-9-15)17(21)12-23-16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H,20,22)
InChIKeyYHTVWIYIRLKHPD-UHFFFAOYSA-N
MW347.87 g/mol
LogP5.05
Rot. Bonds7

About N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide

N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide (PubChem CID 7434036) has the molecular formula C18H18ClNO2S and a molecular weight of 347.87 g/mol. Its IUPAC name is N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide
PubChem CID7434036
Molecular FormulaC18H18ClNO2S
Molecular Weight347.87 g/mol
Exact Mass347.07
IUPAC NameN-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO2S/c1-2-3-18(22)20-15-8-4-13(5-9-15)17(21)12-23-16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H,20,22)
InChIKeyYHTVWIYIRLKHPD-UHFFFAOYSA-N
XLogP5.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.87
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]phenyl]butanamide
CID 7560622
2-(4-chlorophenyl)-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22776204
N-(4-acetylphenyl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272367
butyl 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate
CID 7927019
2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43413042
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257472
N-[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]butanamide
CID 19299435
N-[4-(2-aminoacetyl)phenyl]butanamide
CID 170860322
1-(4-chlorophenyl)sulfanylpentan-2-one
CID 62041671
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
N-[4-[2-(4-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19630200
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide?
The IUPAC name of N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide (CID 7434036) is N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide?
The InChIKey is YHTVWIYIRLKHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2S/c1-2-3-18(22)20-15-8-4-13(5-9-15)17(21)12-23-16-10-6-14(19)7-11-16/h4-11H,2-3,12H2,1H3,(H,20,22).
What are the key properties of N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide?
N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide has a molecular weight of 347.87 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chlorophenyl)sulfanylacetyl]phenyl]butanamide is sourced from PubChem (CID 7434036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).