N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide

C24H24N4O2S — CID 22779701

IUPACN-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H24N4O2S/c1-17(29)27-12-14-28(15-13-27)22-9-5-4-8-21(22)25-24(31)26-23(30)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16H,12-15H2,1H3,(H2,25,26,30,31)
InChIKeyKICPWNIUCLFYEI-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.64
Rot. Bonds3

About N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide

N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide (PubChem CID 22779701) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide
PubChem CID22779701
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H24N4O2S/c1-17(29)27-12-14-28(15-13-27)22-9-5-4-8-21(22)25-24(31)26-23(30)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16H,12-15H2,1H3,(H2,25,26,30,31)
InChIKeyKICPWNIUCLFYEI-UHFFFAOYSA-N
XLogP3.64
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.64
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-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
CID 6458409
N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-bromobenzamide
CID 17110048
N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 17116130
N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 3758937
4-bromo-N-[[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 4530285
N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]butanamide
CID 2996595
N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-3,5-dimethoxybenzamide
CID 17317457
3,5-dimethoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 3547605
3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 4288614
4-methoxy-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 3949291
4-ethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide
CID 22778153
3-chloro-N-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 17317446

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide (CID 22779701) is N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide is CC(=O)N1CCN(c2ccccc2NC(=S)NC(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide?
The InChIKey is KICPWNIUCLFYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-17(29)27-12-14-28(15-13-27)22-9-5-4-8-21(22)25-24(31)26-23(30)20-11-10-18-6-2-3-7-19(18)16-20/h2-11,16H,12-15H2,1H3,(H2,25,26,30,31).
What are the key properties of N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide?
N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]naphthalene-2-carboxamide is sourced from PubChem (CID 22779701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).