N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide

C23H23N3O2S — CID 979219

IUPACN-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
SMILESO=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H23N3O2S/c27-22(21-7-3-5-18-4-1-2-6-20(18)21)25-23(29)24-19-10-8-17(9-11-19)16-26-12-14-28-15-13-26/h1-11H,12-16H2,(H2,24,25,27,29)
InChIKeyHWKCPKJRSZIINX-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.80
Rot. Bonds4

About N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide

N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide (PubChem CID 979219) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
PubChem CID979219
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
SMILESO=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C23H23N3O2S/c27-22(21-7-3-5-18-4-1-2-6-20(18)21)25-23(29)24-19-10-8-17(9-11-19)16-26-12-14-28-15-13-26/h1-11H,12-16H2,(H2,24,25,27,29)
InChIKeyHWKCPKJRSZIINX-UHFFFAOYSA-N
XLogP3.80
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 3316137
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 6958040
2-chloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide
CID 3306868
2-chloro-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 3511089
N-[4-(naphthalene-1-carbonylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide
CID 17109692
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 108760742
4-ethoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]benzamide
CID 979170
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1333473
N-[[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 3879741
N-[(3,4-dimethylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 882008
3-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]benzo[g][1]benzofuran-2-carboxamide
CID 112797995

Frequently Asked Questions

What is the IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide (CID 979219) is N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide is O=C(NC(=S)Nc1ccc(CN2CCOCC2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide?
The InChIKey is HWKCPKJRSZIINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c27-22(21-7-3-5-18-4-1-2-6-20(18)21)25-23(29)24-19-10-8-17(9-11-19)16-26-12-14-28-15-13-26/h1-11H,12-16H2,(H2,24,25,27,29).
What are the key properties of N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide?
N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide is sourced from PubChem (CID 979219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).