N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide

C25H21FN2O2S — CID 46589785

IUPACN-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C25H21FN2O2S/c26-21-11-9-18(10-12-21)24(22-6-3-15-31-22)28-23(29)13-14-27-25(30)20-8-7-17-4-1-2-5-19(17)16-20/h1-12,15-16,24H,13-14H2,(H,27,30)(H,28,29)
InChIKeyNACPLISKHZHWIT-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.07
Rot. Bonds7

About N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 46589785) has the molecular formula C25H21FN2O2S and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID46589785
Molecular FormulaC25H21FN2O2S
Molecular Weight432.52 g/mol
Exact Mass432.13
IUPAC NameN-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)NC(c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C25H21FN2O2S/c26-21-11-9-18(10-12-21)24(22-6-3-15-31-22)28-23(29)13-14-27-25(30)20-8-7-17-4-1-2-5-19(17)16-20/h1-12,15-16,24H,13-14H2,(H,27,30)(H,28,29)
InChIKeyNACPLISKHZHWIT-UHFFFAOYSA-N
XLogP5.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(4-fluorophenyl)ethylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 43056250
N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 17403858
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 18279784
N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide
CID 18267861
2-(azocan-1-ium-1-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8680042
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-(methylamino)butanamide
CID 61258454
N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide
CID 55569040
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid
CID 119169798

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide (CID 46589785) is N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide is O=C(CCNC(=O)c1ccc2ccccc2c1)NC(c1ccc(F)cc1)c1cccs1.
What is the InChIKey of N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is NACPLISKHZHWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O2S/c26-21-11-9-18(10-12-21)24(22-6-3-15-31-22)28-23(29)13-14-27-25(30)20-8-7-17-4-1-2-5-19(17)16-20/h1-12,15-16,24H,13-14H2,(H,27,30)(H,28,29).
What are the key properties of N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 46589785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).