N-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide

C18H18FNOS — CID 134004598

IUPACN-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(C1CC1c1ccccc1F)N(Cc1cccs1)C1CC1
InChIInChI=1S/C18H18FNOS/c19-17-6-2-1-5-14(17)15-10-16(15)18(21)20(12-7-8-12)11-13-4-3-9-22-13/h1-6,9,12,15-16H,7-8,10-11H2
InChIKeyZLMKCOWSUYJXRX-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.18
Rot. Bonds5

About N-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide

N-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 134004598) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID134004598
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC NameN-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(C1CC1c1ccccc1F)N(Cc1cccs1)C1CC1
InChIInChI=1S/C18H18FNOS/c19-17-6-2-1-5-14(17)15-10-16(15)18(21)20(12-7-8-12)11-13-4-3-9-22-13/h1-6,9,12,15-16H,7-8,10-11H2
InChIKeyZLMKCOWSUYJXRX-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N-cyclopropyl-2-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 95142348
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
(1S,6R)-6-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962163
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
N-cyclopropyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 46546636
N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 134004472
2-[carboxymethyl-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63647136
N-cyclopropyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 54870571
(2S)-N-cyclopropyl-N-(thiophen-2-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61164482
N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645728
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
3-amino-N-cyclopropyl-2,2,3-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 65269853

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide (CID 134004598) is N-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide is O=C(C1CC1c1ccccc1F)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is ZLMKCOWSUYJXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNOS/c19-17-6-2-1-5-14(17)15-10-16(15)18(21)20(12-7-8-12)11-13-4-3-9-22-13/h1-6,9,12,15-16H,7-8,10-11H2.
What are the key properties of N-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide?
N-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 315.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134004598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).