N-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide

C16H19ClN4O2S — CID 144838746

IUPACN-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide
SMILESCOc1cccc(N(C)NNNC=O)c1SCc1ccccc1Cl
InChIInChI=1S/C16H19ClN4O2S/c1-21(20-19-18-11-22)14-8-5-9-15(23-2)16(14)24-10-12-6-3-4-7-13(12)17/h3-9,11,19-20H,10H2,1-2H3,(H,18,22)
InChIKeyCUBNWWHICHONDU-UHFFFAOYSA-N
MW366.87 g/mol
LogP2.75
Rot. Bonds9

About N-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide

N-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide (PubChem CID 144838746) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide
PubChem CID144838746
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC NameN-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide
SMILESCOc1cccc(N(C)NNNC=O)c1SCc1ccccc1Cl
InChIInChI=1S/C16H19ClN4O2S/c1-21(20-19-18-11-22)14-8-5-9-15(23-2)16(14)24-10-12-6-3-4-7-13(12)17/h3-9,11,19-20H,10H2,1-2H3,(H,18,22)
InChIKeyCUBNWWHICHONDU-UHFFFAOYSA-N
XLogP2.75
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(2-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 61418205
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 6886952
4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 43909157
4-amino-3-[(2-chlorophenyl)methylsulfanyl]-6-(2-methoxyanilino)-1,2,4-triazin-5-one
CID 35755357
N-[(2-chlorophenyl)methyl]-N-methylformamide
CID 64992323
N-amino-N-methylformamide;1-[3-chloro-2-[[5-(difluoromethyl)-2-methoxyphenyl]sulfanylmethyl]phenyl]-1-methylhydrazine
CID 144933974
(3aS,6aR)-2-[(2-chlorophenyl)methylsulfanyl]-3-(2-methoxyphenyl)-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazole 5,5-dioxide
CID 39883777
N-[(2-chlorophenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1210502
2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 112766497
(2S)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038325
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-(2-methoxyphenyl)propanamide
CID 94038326

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide?
The IUPAC name of N-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide (CID 144838746) is N-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide.
What is the SMILES notation for N-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide?
The canonical SMILES for N-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide is COc1cccc(N(C)NNNC=O)c1SCc1ccccc1Cl.
What is the InChIKey of N-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide?
The InChIKey is CUBNWWHICHONDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-21(20-19-18-11-22)14-8-5-9-15(23-2)16(14)24-10-12-6-3-4-7-13(12)17/h3-9,11,19-20H,10H2,1-2H3,(H,18,22).
What are the key properties of N-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide?
N-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide has a molecular weight of 366.87 g/mol, XLogP of 2.75, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-chlorophenyl)methylsulfanyl]-3-methoxy-N-methylanilino]hydrazinyl]formamide is sourced from PubChem (CID 144838746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).