N-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide

C22H24FNO3S — CID 56502454

IUPACN-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide
SMILESO=C(CCC(=O)NC1(c2ccc(F)cc2)CCCC1)CCC(=O)c1cccs1
InChIInChI=1S/C22H24FNO3S/c23-17-7-5-16(6-8-17)22(13-1-2-14-22)24-21(27)12-10-18(25)9-11-19(26)20-4-3-15-28-20/h3-8,15H,1-2,9-14H2,(H,24,27)
InChIKeyBQMQJBFFPMITJH-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.79
Rot. Bonds9

About N-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide

N-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide (PubChem CID 56502454) has the molecular formula C22H24FNO3S and a molecular weight of 401.50 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide
PubChem CID56502454
Molecular FormulaC22H24FNO3S
Molecular Weight401.50 g/mol
Exact Mass401.15
IUPAC NameN-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide
SMILESO=C(CCC(=O)NC1(c2ccc(F)cc2)CCCC1)CCC(=O)c1cccs1
InChIInChI=1S/C22H24FNO3S/c23-17-7-5-16(6-8-17)22(13-1-2-14-22)24-21(27)12-10-18(25)9-11-19(26)20-4-3-15-28-20/h3-8,15H,1-2,9-14H2,(H,24,27)
InChIKeyBQMQJBFFPMITJH-UHFFFAOYSA-N
XLogP4.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 43020376
2-amino-N-[1-(4-fluorophenyl)cyclopentyl]acetamide;hydrochloride
CID 119305589
5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid
CID 110442660
4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]bicyclo[2.2.2]octane-1-carboxylic acid
CID 166290015
4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749
N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 166225563
4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid
CID 110465792
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42266039
3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide
CID 55462573
europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione
CID 157335642
N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 139004999
N'-[(2R)-2-(4-fluorophenoxy)propanoyl]-4-oxo-4-thiophen-2-ylbutanehydrazide
CID 7965139

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide (CID 56502454) is N-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide is O=C(CCC(=O)NC1(c2ccc(F)cc2)CCCC1)CCC(=O)c1cccs1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide?
The InChIKey is BQMQJBFFPMITJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3S/c23-17-7-5-16(6-8-17)22(13-1-2-14-22)24-21(27)12-10-18(25)9-11-19(26)20-4-3-15-28-20/h3-8,15H,1-2,9-14H2,(H,24,27).
What are the key properties of N-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide?
N-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide has a molecular weight of 401.50 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopentyl]-4,7-dioxo-7-thiophen-2-ylheptanamide is sourced from PubChem (CID 56502454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).