6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide

C20H24N4O2S — CID 162662972

IUPAC6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide
SMILESO=C(CCCCCNC(=S)NN=C(c1ccccc1)c1ccccc1)NO
InChIInChI=1S/C20H24N4O2S/c25-18(24-26)14-8-3-9-15-21-20(27)23-22-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,26H,3,8-9,14-15H2,(H,24,25)(H2,21,23,27)
InChIKeyWTCBXXBYYXKATB-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.97
Rot. Bonds9

About 6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide

6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide (PubChem CID 162662972) has the molecular formula C20H24N4O2S and a molecular weight of 384.50 g/mol. Its IUPAC name is 6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide
PubChem CID162662972
Molecular FormulaC20H24N4O2S
Molecular Weight384.50 g/mol
Exact Mass384.16
IUPAC Name6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide
SMILESO=C(CCCCCNC(=S)NN=C(c1ccccc1)c1ccccc1)NO
InChIInChI=1S/C20H24N4O2S/c25-18(24-26)14-8-3-9-15-21-20(27)23-22-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,26H,3,8-9,14-15H2,(H,24,25)(H2,21,23,27)
InChIKeyWTCBXXBYYXKATB-UHFFFAOYSA-N
XLogP2.97
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-[[(E)-1-(3-bromophenyl)ethylideneamino]carbamothioylamino]-N-hydroxyhexanamide
CID 162670836
methyl 6-[[(Z)-1-phenylethylideneamino]carbamothioylamino]hexanoate
CID 9350356
N-hydroxy-6-[[(Z)-3-phenylprop-2-enoyl]amino]hexanamide
CID 87214827
1-butyl-3-[(Z)-1-phenylbutylideneamino]thiourea
CID 7612825
N-hydroxy-6-[[2-(4-phenylphenyl)acetyl]amino]hexanamide
CID 42599942
N-(benzhydrylideneamino)-7-(difluoromethylidene)nonanamide
CID 86058370
N-[[phenyl(pyridin-4-yl)methylidene]amino]dodecanamide
CID 5002816
4-(2-benzhydrylidenehydrazinyl)-4-oxobutanoic acid
CID 2063521
[37-(hydroxyamino)-37-oxoheptatriacontyl]carbamodithioic acid
CID 87683878
[12-(hydroxyamino)-12-oxododecyl]carbamodithioic acid
CID 87683955
N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide
CID 85068732
N-(6-hydrazinyl-6-oxohexyl)benzamide
CID 5226635

Frequently Asked Questions

What is the IUPAC name of 6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide?
The IUPAC name of 6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide (CID 162662972) is 6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide.
What is the SMILES notation for 6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide?
The canonical SMILES for 6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide is O=C(CCCCCNC(=S)NN=C(c1ccccc1)c1ccccc1)NO.
What is the InChIKey of 6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide?
The InChIKey is WTCBXXBYYXKATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-18(24-26)14-8-3-9-15-21-20(27)23-22-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-2,4-7,10-13,26H,3,8-9,14-15H2,(H,24,25)(H2,21,23,27).
What are the key properties of 6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide?
6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide has a molecular weight of 384.50 g/mol, XLogP of 2.97, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(benzhydrylideneamino)carbamothioylamino]-N-hydroxyhexanamide is sourced from PubChem (CID 162662972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).