5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide

C24H24ClN3O3S — CID 2231897

IUPAC5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide
SMILESCCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1OC
InChIInChI=1S/C24H24ClN3O3S/c1-3-4-11-22(29)27-20-13-12-15(14-21(20)31-2)26-24(32)28-23(30)18-9-5-8-17-16(18)7-6-10-19(17)25/h5-10,12-14H,3-4,11H2,1-2H3,(H,27,29)(H2,26,28,30,32)
InChIKeyMIHPHXYEKKCMON-UHFFFAOYSA-N
MW469.99 g/mol
LogP5.76
Rot. Bonds7

About 5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide

5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide (PubChem CID 2231897) has the molecular formula C24H24ClN3O3S and a molecular weight of 469.99 g/mol. Its IUPAC name is 5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide
PubChem CID2231897
Molecular FormulaC24H24ClN3O3S
Molecular Weight469.99 g/mol
Exact Mass469.12
IUPAC Name5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide
SMILESCCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1OC
InChIInChI=1S/C24H24ClN3O3S/c1-3-4-11-22(29)27-20-13-12-15(14-21(20)31-2)26-24(32)28-23(30)18-9-5-8-17-16(18)7-6-10-19(17)25/h5-10,12-14H,3-4,11H2,1-2H3,(H,27,29)(H2,26,28,30,32)
InChIKeyMIHPHXYEKKCMON-UHFFFAOYSA-N
XLogP5.76
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.99
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide
CID 21215486
N-[[3-(butanoylamino)phenyl]carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 22778393
N-[[4-(butanoylamino)phenyl]carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 22778394
2,3,5,6-tetrafluoro-4-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide
CID 17115591
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2178714
3-chloro-N-[3-methoxy-4-(pentanoylamino)phenyl]-1-benzothiophene-2-carboxamide
CID 3699062
2,5-dichloro-N-[[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]carbamothioyl]benzamide
CID 17115543
propyl 4-[(5-chloronaphthalene-1-carbonyl)carbamothioylamino]benzoate
CID 22778583
3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2236592
N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide
CID 4028321
5-chloro-N-(2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 17101910

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide?
The IUPAC name of 5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide (CID 2231897) is 5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide is CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1OC.
What is the InChIKey of 5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide?
The InChIKey is MIHPHXYEKKCMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3S/c1-3-4-11-22(29)27-20-13-12-15(14-21(20)31-2)26-24(32)28-23(30)18-9-5-8-17-16(18)7-6-10-19(17)25/h5-10,12-14H,3-4,11H2,1-2H3,(H,27,29)(H2,26,28,30,32).
What are the key properties of 5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide?
5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide has a molecular weight of 469.99 g/mol, XLogP of 5.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide is sourced from PubChem (CID 2231897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).