N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide

C18H19FN2O2S — CID 134013849

IUPACN-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N(Cc1ccccc1F)C1CC1)c1ccsc1
InChIInChI=1S/C18H19FN2O2S/c19-16-4-2-1-3-13(16)11-21(15-5-6-15)17(22)7-9-20-18(23)14-8-10-24-12-14/h1-4,8,10,12,15H,5-7,9,11H2,(H,20,23)
InChIKeyFCJRBECIBQHQCP-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.20
Rot. Bonds7

About N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 134013849) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID134013849
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC NameN-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESO=C(NCCC(=O)N(Cc1ccccc1F)C1CC1)c1ccsc1
InChIInChI=1S/C18H19FN2O2S/c19-16-4-2-1-3-13(16)11-21(15-5-6-15)17(22)7-9-20-18(23)14-8-10-24-12-14/h1-4,8,10,12,15H,5-7,9,11H2,(H,20,23)
InChIKeyFCJRBECIBQHQCP-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid
CID 60844519
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CID 18164911
N-cyclopropyl-3-(cyclopropylamino)-N-[(2-fluorophenyl)methyl]propanamide
CID 60936622
N-[3-[methyl-(4-phenylcyclohexyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 55588261
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
N-[3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 55375985
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
N-[3-(N-benzylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 24555383
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-nitroanilino)propanamide
CID 134046139
N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 46590732
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide (CID 134013849) is N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide is O=C(NCCC(=O)N(Cc1ccccc1F)C1CC1)c1ccsc1.
What is the InChIKey of N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is FCJRBECIBQHQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c19-16-4-2-1-3-13(16)11-21(15-5-6-15)17(22)7-9-20-18(23)14-8-10-24-12-14/h1-4,8,10,12,15H,5-7,9,11H2,(H,20,23).
What are the key properties of N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 134013849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).