2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide

C18H18Cl2N2O2S — CID 18901090

IUPAC2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide
SMILESCCC(Sc1cccc(NC(C)=O)c1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2S/c1-3-17(18(24)22-13-7-8-15(19)16(20)10-13)25-14-6-4-5-12(9-14)21-11(2)23/h4-10,17H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKIFVRDYKXGNABH-UHFFFAOYSA-N
MW397.33 g/mol
LogP5.46
Rot. Bonds6

About 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide

2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide (PubChem CID 18901090) has the molecular formula C18H18Cl2N2O2S and a molecular weight of 397.33 g/mol. Its IUPAC name is 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide.

Molecular Properties

Compound Name2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide
PubChem CID18901090
Molecular FormulaC18H18Cl2N2O2S
Molecular Weight397.33 g/mol
Exact Mass396.05
IUPAC Name2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide
SMILESCCC(Sc1cccc(NC(C)=O)c1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2S/c1-3-17(18(24)22-13-7-8-15(19)16(20)10-13)25-14-6-4-5-12(9-14)21-11(2)23/h4-10,17H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKIFVRDYKXGNABH-UHFFFAOYSA-N
XLogP5.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.33
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(3,4-dichloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18908002
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)propanamide
CID 18900946
4-[[3-[1-(3,4-dichloroanilino)-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]benzene-1,3-dicarboxylic acid
CID 18896566
2-[3-(butanoylamino)phenyl]sulfanyl-N-(3-chloro-4-methylphenyl)butanamide
CID 18901661
2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)butanamide
CID 18901086
2-(3-acetamidophenyl)sulfanyl-N-(2-methylphenyl)butanamide
CID 18901098
N-[3-[1-(3-chloro-4-methylanilino)-1-oxobutan-2-yl]sulfanylphenyl]pentanamide
CID 18903101
2-(3-acetamidophenyl)sulfanyl-N-(9-ethylcarbazol-3-yl)butanamide
CID 18912315
2,4-dichloro-N-[3-[1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18902235
N-(3-chloro-4-fluorophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylbutanamide
CID 18905979
2-(3-acetamidophenyl)sulfanyl-N-(5-chloro-2-methoxyphenyl)butanamide
CID 18901133
N-(4-acetamidophenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanamide
CID 18901998

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide?
The IUPAC name of 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide (CID 18901090) is 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide.
What is the SMILES notation for 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide?
The canonical SMILES for 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide is CCC(Sc1cccc(NC(C)=O)c1)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide?
The InChIKey is KIFVRDYKXGNABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2S/c1-3-17(18(24)22-13-7-8-15(19)16(20)10-13)25-14-6-4-5-12(9-14)21-11(2)23/h4-10,17H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide?
2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide has a molecular weight of 397.33 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidophenyl)sulfanyl-N-(3,4-dichlorophenyl)butanamide is sourced from PubChem (CID 18901090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).