N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide

C20H20N2O2S — CID 55569040

IUPACN-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)NCCc1cccs1
InChIInChI=1S/C20H20N2O2S/c23-19(21-11-9-18-6-3-13-25-18)10-12-22-20(24)17-8-7-15-4-1-2-5-16(15)14-17/h1-8,13-14H,9-12H2,(H,21,23)(H,22,24)
InChIKeyYBDPLVDQLXCGDP-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.38
Rot. Bonds7

About N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide

N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide (PubChem CID 55569040) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide
PubChem CID55569040
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide
SMILESO=C(CCNC(=O)c1ccc2ccccc2c1)NCCc1cccs1
InChIInChI=1S/C20H20N2O2S/c23-19(21-11-9-18-6-3-13-25-18)10-12-22-20(24)17-8-7-15-4-1-2-5-16(15)14-17/h1-8,13-14H,9-12H2,(H,21,23)(H,22,24)
InChIKeyYBDPLVDQLXCGDP-UHFFFAOYSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]furan-3-carboxamide
CID 39931388
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
CID 60714994
9-oxo-N-(2-thiophen-2-ylethyl)fluorene-2-carboxamide
CID 16612942
N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]benzamide
CID 27770371
4-sulfanyl-N-(2-thiophen-2-ylethyl)benzamide
CID 107021162
3-bromo-N-(2-thiophen-2-ylethyl)propanamide
CID 82109303
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46589785
4-oxo-4-(4-phenylphenyl)-N-(2-thiophen-2-ylethyl)butanamide
CID 17449159
4-bromo-3-fluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 47421945
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide (CID 55569040) is N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide is O=C(CCNC(=O)c1ccc2ccccc2c1)NCCc1cccs1.
What is the InChIKey of N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide?
The InChIKey is YBDPLVDQLXCGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c23-19(21-11-9-18-6-3-13-25-18)10-12-22-20(24)17-8-7-15-4-1-2-5-16(15)14-17/h1-8,13-14H,9-12H2,(H,21,23)(H,22,24).
What are the key properties of N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide?
N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(2-thiophen-2-ylethylamino)propyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55569040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).