methyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate

C18H19FN2O3S — CID 55827383

IUPACmethyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CN(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C18H19FN2O3S/c1-24-18(23)17-15(7-8-25-17)20-16(22)11-21(14-5-6-14)10-12-3-2-4-13(19)9-12/h2-4,7-9,14H,5-6,10-11H2,1H3,(H,20,22)
InChIKeyINVRCCMCRJLLCP-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.28
Rot. Bonds7

About methyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate (PubChem CID 55827383) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate
PubChem CID55827383
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Namemethyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CN(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C18H19FN2O3S/c1-24-18(23)17-15(7-8-25-17)20-16(22)11-21(14-5-6-14)10-12-3-2-4-13(19)9-12/h2-4,7-9,14H,5-6,10-11H2,1H3,(H,20,22)
InChIKeyINVRCCMCRJLLCP-UHFFFAOYSA-N
XLogP3.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770040
methyl 3-[[2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]amino]acetyl]amino]thiophene-2-carboxylate
CID 60524144
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 27805316
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 34408527
methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703682
methyl 3-[[(2S)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]thiophene-2-carboxylate
CID 51694845
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
methyl 3-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-2-carboxylate
CID 38344560
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 9300301
N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
CID 51133953
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 79610580

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate (CID 55827383) is methyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)CN(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of methyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate?
The InChIKey is INVRCCMCRJLLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-24-18(23)17-15(7-8-25-17)20-16(22)11-21(14-5-6-14)10-12-3-2-4-13(19)9-12/h2-4,7-9,14H,5-6,10-11H2,1H3,(H,20,22).
What are the key properties of methyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 55827383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).