N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide

C16H15Cl2NO2S2 — CID 55408934

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO2S2/c17-11-1-3-12(4-2-11)22-10-9-19-16(21)8-5-13(20)14-6-7-15(18)23-14/h1-4,6-7H,5,8-10H2,(H,19,21)
InChIKeyRFBYFXKRKPQSSW-UHFFFAOYSA-N
MW388.34 g/mol
LogP4.93
Rot. Bonds8

About N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide

N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide (PubChem CID 55408934) has the molecular formula C16H15Cl2NO2S2 and a molecular weight of 388.34 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
PubChem CID55408934
Molecular FormulaC16H15Cl2NO2S2
Molecular Weight388.34 g/mol
Exact Mass386.99
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl2NO2S2/c17-11-1-3-12(4-2-11)22-10-9-19-16(21)8-5-13(20)14-6-7-15(18)23-14/h1-4,6-7H,5,8-10H2,(H,19,21)
InChIKeyRFBYFXKRKPQSSW-UHFFFAOYSA-N
XLogP4.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-4-oxobutanamide
CID 78798225
4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 18108735
4-(5-chlorothiophen-2-yl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
CID 18104965
N-[2-(4-chlorophenoxy)ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18116165
4-amino-N-[2-(4-chlorophenyl)sulfanylethyl]pentanamide;hydrochloride
CID 120559309
4-(4-chlorophenyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-oxobutanamide
CID 26635879
4-(4-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)butanamide
CID 43388979
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18116656
3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 9258901
3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]butanamide
CID 119691377
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
4-(5-chlorothiophen-2-yl)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-oxobutanamide
CID 9450281

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide (CID 55408934) is N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)s1)NCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
The InChIKey is RFBYFXKRKPQSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S2/c17-11-1-3-12(4-2-11)22-10-9-19-16(21)8-5-13(20)14-6-7-15(18)23-14/h1-4,6-7H,5,8-10H2,(H,19,21).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide has a molecular weight of 388.34 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide is sourced from PubChem (CID 55408934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).