N-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide

C22H24N2O2S — CID 42704234

IUPACN-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(c1cccc2ccccc12)N(CCN1CCOCC1)Cc1ccsc1
InChIInChI=1S/C22H24N2O2S/c25-22(21-7-3-5-19-4-1-2-6-20(19)21)24(16-18-8-15-27-17-18)10-9-23-11-13-26-14-12-23/h1-8,15,17H,9-14,16H2
InChIKeyKXALZUGLWVGZED-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.88
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide

N-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide (PubChem CID 42704234) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide
PubChem CID42704234
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide
SMILESO=C(c1cccc2ccccc12)N(CCN1CCOCC1)Cc1ccsc1
InChIInChI=1S/C22H24N2O2S/c25-22(21-7-3-5-19-4-1-2-6-20(19)21)24(16-18-8-15-27-17-18)10-9-23-11-13-26-14-12-23/h1-8,15,17H,9-14,16H2
InChIKeyKXALZUGLWVGZED-UHFFFAOYSA-N
XLogP3.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide (CID 42704234) is N-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide is O=C(c1cccc2ccccc12)N(CCN1CCOCC1)Cc1ccsc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide?
The InChIKey is KXALZUGLWVGZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c25-22(21-7-3-5-19-4-1-2-6-20(19)21)24(16-18-8-15-27-17-18)10-9-23-11-13-26-14-12-23/h1-8,15,17H,9-14,16H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide?
N-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N-(thiophen-3-ylmethyl)naphthalene-1-carboxamide is sourced from PubChem (CID 42704234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).