methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate

C18H18FNO3S — CID 55608750

IUPACmethyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(-c3ccccc3F)s2)CCCC1
InChIInChI=1S/C18H18FNO3S/c1-23-17(22)18(10-4-5-11-18)20-16(21)15-9-8-14(24-15)12-6-2-3-7-13(12)19/h2-3,6-9H,4-5,10-11H2,1H3,(H,20,21)
InChIKeyVPRSFZCOYWUKLF-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.77
Rot. Bonds4

About methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate

methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate (PubChem CID 55608750) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate
PubChem CID55608750
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC Namemethyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(-c3ccccc3F)s2)CCCC1
InChIInChI=1S/C18H18FNO3S/c1-23-17(22)18(10-4-5-11-18)20-16(21)15-9-8-14(24-15)12-6-2-3-7-13(12)19/h2-3,6-9H,4-5,10-11H2,1H3,(H,20,21)
InChIKeyVPRSFZCOYWUKLF-UHFFFAOYSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

n-Benzo[b]thiophene-2-ylcarbonyl-l-leucine methyl ester
CID 32044690
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(2-fluorophenyl)thiophene-2-carboxamide
CID 56818319
N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 56819457
N-tert-butyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
CID 2740126
Methyl 1-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate
CID 32281999
N-[1-(4-fluorophenyl)cyclopentyl]thiophene-2-carboxamide
CID 47424148
Methyl 2-(2,5-difluorophenyl)-2-[(thiophen-3-yl)formamido]acetate
CID 53540840
Methyl 2-[[4-phenyl-5-(trifluoromethyl)thiophene-2-carbonyl]amino]acetate
CID 15376684
Methyl 3-thiophen-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate
CID 20554981
methyl (2R)-2-[(1-benzothiophen-2-yl)formamido]-4-methylpentanoate
CID 32044687
methyl (2S)-3-thiophen-2-yl-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate
CID 53661836
Methyl alpha-(4-fluorobenzoylamino)-2-thiophene acetate
CID 67546601

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate (CID 55608750) is methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2ccc(-c3ccccc3F)s2)CCCC1.
What is the InChIKey of methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate?
The InChIKey is VPRSFZCOYWUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-23-17(22)18(10-4-5-11-18)20-16(21)15-9-8-14(24-15)12-6-2-3-7-13(12)19/h2-3,6-9H,4-5,10-11H2,1H3,(H,20,21).
What are the key properties of methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate?
methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 55608750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).