N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide

C18H20FNOS — CID 39968065

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H20FNOS/c19-15-8-6-14(7-9-15)13-20(16-10-11-16)18(21)5-1-3-17-4-2-12-22-17/h2,4,6-9,12,16H,1,3,5,10-11,13H2
InChIKeyNIPSFZOHFCFSFW-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.40
Rot. Bonds7

About N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide (PubChem CID 39968065) has the molecular formula C18H20FNOS and a molecular weight of 317.43 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
PubChem CID39968065
Molecular FormulaC18H20FNOS
Molecular Weight317.43 g/mol
Exact Mass317.12
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C18H20FNOS/c19-15-8-6-14(7-9-15)13-20(16-10-11-16)18(21)5-1-3-17-4-2-12-22-17/h2,4,6-9,12,16H,1,3,5,10-11,13H2
InChIKeyNIPSFZOHFCFSFW-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-phenylpropanamide
CID 5063733
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 107909246
5-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 54874686
N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 157468797
N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide
CID 80659406
N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide
CID 63391703
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide
CID 43460540
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
4-butyl-N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 5207803
N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]-N,N-dipropylpentanediamide
CID 56538526
N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119715445
N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide
CID 134004464

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide (CID 39968065) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is NIPSFZOHFCFSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNOS/c19-15-8-6-14(7-9-15)13-20(16-10-11-16)18(21)5-1-3-17-4-2-12-22-17/h2,4,6-9,12,16H,1,3,5,10-11,13H2.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 317.43 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 39968065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).