4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide

C17H24ClNO3S — CID 134030077

IUPAC4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NCCCOC1CCCCC1
InChIInChI=1S/C17H24ClNO3S/c18-16-9-8-15(23-16)14(20)7-10-17(21)19-11-4-12-22-13-5-2-1-3-6-13/h8-9,13H,1-7,10-12H2,(H,19,21)
InChIKeyXFDBUKWABLJXPI-UHFFFAOYSA-N
MW357.90 g/mol
LogP4.22
Rot. Bonds9

About 4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide

4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide (PubChem CID 134030077) has the molecular formula C17H24ClNO3S and a molecular weight of 357.90 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
PubChem CID134030077
Molecular FormulaC17H24ClNO3S
Molecular Weight357.90 g/mol
Exact Mass357.12
IUPAC Name4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)s1)NCCCOC1CCCCC1
InChIInChI=1S/C17H24ClNO3S/c18-16-9-8-15(23-16)14(20)7-10-17(21)19-11-4-12-22-13-5-2-1-3-6-13/h8-9,13H,1-7,10-12H2,(H,19,21)
InChIKeyXFDBUKWABLJXPI-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.90
LogP ≤ 54.22
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-(4-chlorophenyl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide
CID 134029986
4-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-4-oxobutanamide
CID 78798225
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-cyclohexyloxypropyl)acetamide
CID 31852144
N-(3-cyclopentyloxypropyl)-3-(2,6-dichlorophenyl)propanamide
CID 100603333
3-amino-N-(3-cyclohexyloxypropyl)propanamide
CID 61275390
N-(3-cyclohexyloxypropyl)-3-(2,4-dichlorophenyl)propanamide
CID 100608367
2-chloro-N-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]benzamide
CID 24554342
4-(5-chlorothiophen-2-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 18108735
1-(5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-one
CID 43161016
N-[2-(4-chlorophenyl)sulfanylethyl]-4-(5-chlorothiophen-2-yl)-4-oxobutanamide
CID 55408934
2-(4-chlorophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)acetamide
CID 34452142
N-(3-cyclopentyloxypropyl)-4,4,4-trifluorobutanamide
CID 131949460

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide (CID 134030077) is 4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)s1)NCCCOC1CCCCC1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide?
The InChIKey is XFDBUKWABLJXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO3S/c18-16-9-8-15(23-16)14(20)7-10-17(21)19-11-4-12-22-13-5-2-1-3-6-13/h8-9,13H,1-7,10-12H2,(H,19,21).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide?
4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide has a molecular weight of 357.90 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-(3-cyclohexyloxypropyl)-4-oxobutanamide is sourced from PubChem (CID 134030077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).