2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid

C18H20ClNO3S — CID 69220427

IUPAC2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid
SMILESO=C(CCCCN(CCc1ccccc1Cl)C(=O)O)c1cccs1
InChIInChI=1S/C18H20ClNO3S/c19-15-7-2-1-6-14(15)10-12-20(18(22)23)11-4-3-8-16(21)17-9-5-13-24-17/h1-2,5-7,9,13H,3-4,8,10-12H2,(H,22,23)
InChIKeyMOWOXMFNUXDCTF-UHFFFAOYSA-N
MW365.88 g/mol
LogP4.98
Rot. Bonds9

About 2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid

2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid (PubChem CID 69220427) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid
PubChem CID69220427
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid
SMILESO=C(CCCCN(CCc1ccccc1Cl)C(=O)O)c1cccs1
InChIInChI=1S/C18H20ClNO3S/c19-15-7-2-1-6-14(15)10-12-20(18(22)23)11-4-3-8-16(21)17-9-5-13-24-17/h1-2,5-7,9,13H,3-4,8,10-12H2,(H,22,23)
InChIKeyMOWOXMFNUXDCTF-UHFFFAOYSA-N
XLogP4.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid
CID 69220675
4-[(2-chlorophenyl)methyl-methylamino]-1-thiophen-2-ylbutan-1-one
CID 60692201
N-[(2-chlorophenyl)methyl]-N-methyl-4-oxo-4-thiophen-2-ylbutanamide
CID 78768555
2-(2-chlorophenyl)ethyl-[5-oxo-5-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)pentyl]carbamic acid
CID 69221077
4-(2-chlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 62030266
5-hydroxy-1-thiophen-2-ylpentan-1-one
CID 102168662
4-[benzyl(ethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60687710
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
4-[bis(2-hydroxyethyl)amino]-1-thiophen-2-ylbutan-1-one
CID 60686397
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
2-(2-chlorophenyl)ethyl-[4,4-dimethyl-3-(2-oxoethylsulfanyl)pentyl]carbamic acid
CID 87209327
4-(2,3-dichlorophenoxy)-1-thiophen-2-ylbutan-1-one
CID 60656845

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid?
The IUPAC name of 2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid (CID 69220427) is 2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid.
What is the SMILES notation for 2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid?
The canonical SMILES for 2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid is O=C(CCCCN(CCc1ccccc1Cl)C(=O)O)c1cccs1.
What is the InChIKey of 2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid?
The InChIKey is MOWOXMFNUXDCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c19-15-7-2-1-6-14(15)10-12-20(18(22)23)11-4-3-8-16(21)17-9-5-13-24-17/h1-2,5-7,9,13H,3-4,8,10-12H2,(H,22,23).
What are the key properties of 2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid?
2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid has a molecular weight of 365.88 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)ethyl-(5-oxo-5-thiophen-2-ylpentyl)carbamic acid is sourced from PubChem (CID 69220427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).