N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide

C23H27N3O3S — CID 4166416

IUPACN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide
SMILESCCOCCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H27N3O3S/c1-4-29-14-8-13-26(15-21(27)25-23-24-16(2)17(3)30-23)22(28)20-12-7-10-18-9-5-6-11-19(18)20/h5-7,9-12H,4,8,13-15H2,1-3H3,(H,24,25,27)
InChIKeyJZRNHUXFUQZZJL-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.42
Rot. Bonds9

About N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide (PubChem CID 4166416) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide
PubChem CID4166416
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide
SMILESCCOCCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C23H27N3O3S/c1-4-29-14-8-13-26(15-21(27)25-23-24-16(2)17(3)30-23)22(28)20-12-7-10-18-9-5-6-11-19(18)20/h5-7,9-12H,4,8,13-15H2,1-3H3,(H,24,25,27)
InChIKeyJZRNHUXFUQZZJL-UHFFFAOYSA-N
XLogP4.42
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)-4-methoxybenzamide
CID 4638908
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluoro-N-(3-methoxypropyl)benzamide
CID 4302806
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-phenylbenzamide
CID 42771489
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[3-methoxypropyl-(2-phenylmethoxyacetyl)amino]acetamide
CID 4226699
N-(3-ethoxypropyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4131219
4-butoxy-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 42771492
N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
CID 7201799
N-(cyclopropylmethyl)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 4183331
methyl 2-[[3-ethoxypropyl(naphthalene-1-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 3291372
N-[3-(dimethylamino)propyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-methoxybenzamide
CID 3287313
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42768818
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclopentanecarboxamide
CID 3310913

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide?
The IUPAC name of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide (CID 4166416) is N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide is CCOCCCN(CC(=O)Nc1nc(C)c(C)s1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide?
The InChIKey is JZRNHUXFUQZZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-4-29-14-8-13-26(15-21(27)25-23-24-16(2)17(3)30-23)22(28)20-12-7-10-18-9-5-6-11-19(18)20/h5-7,9-12H,4,8,13-15H2,1-3H3,(H,24,25,27).
What are the key properties of N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide?
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 4166416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).