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

C19H20FNO3S — CID 55608190

IUPACmethyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(-c3ccccc3F)s2)CCCCC1
InChIInChI=1S/C19H20FNO3S/c1-24-18(23)19(11-5-2-6-12-19)21-17(22)16-10-9-15(25-16)13-7-3-4-8-14(13)20/h3-4,7-10H,2,5-6,11-12H2,1H3,(H,21,22)
InChIKeyVDSBFZRZQHBDBV-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.16
Rot. Bonds4

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

methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 55608190) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate
PubChem CID55608190
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Namemethyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2ccc(-c3ccccc3F)s2)CCCCC1
InChIInChI=1S/C19H20FNO3S/c1-24-18(23)19(11-5-2-6-12-19)21-17(22)16-10-9-15(25-16)13-7-3-4-8-14(13)20/h3-4,7-10H,2,5-6,11-12H2,1H3,(H,21,22)
InChIKeyVDSBFZRZQHBDBV-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate (CID 55608190) is methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)c2ccc(-c3ccccc3F)s2)CCCCC1.
What is the InChIKey of methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is VDSBFZRZQHBDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-24-18(23)19(11-5-2-6-12-19)21-17(22)16-10-9-15(25-16)13-7-3-4-8-14(13)20/h3-4,7-10H,2,5-6,11-12H2,1H3,(H,21,22).
What are the key properties of methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate?
methyl 1-[[5-(2-fluorophenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 4.16, 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]cyclohexane-1-carboxylate is sourced from PubChem (CID 55608190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).