4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide

C21H20N2O2S — CID 59675443

IUPAC4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide
SMILESCOc1c(N=C(c2ccccc2)c2ccccc2)csc1C(=O)N(C)C
InChIInChI=1S/C21H20N2O2S/c1-23(2)21(24)20-19(25-3)17(14-26-20)22-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,1-3H3
InChIKeyXHMKVYZYAJQFSR-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.63
Rot. Bonds5

About 4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide

4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide (PubChem CID 59675443) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide
PubChem CID59675443
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide
SMILESCOc1c(N=C(c2ccccc2)c2ccccc2)csc1C(=O)N(C)C
InChIInChI=1S/C21H20N2O2S/c1-23(2)21(24)20-19(25-3)17(14-26-20)22-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,1-3H3
InChIKeyXHMKVYZYAJQFSR-UHFFFAOYSA-N
XLogP4.63
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide
CID 59675188
4-(benzhydrylideneamino)-5-chloro-3-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 59675198
4-(benzhydrylideneamino)-5-bromo-3-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 59675639
4-(benzhydrylideneamino)-3-methoxy-N-methyl-N-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 88940007
4-(benzhydrylideneamino)-3-methoxy-N-methylthiophene-2-carboxamide
CID 89354750
4-(benzhydrylideneamino)-5-(iodomethyl)-3-methoxy-N,N-dimethylthiophene-2-carboxamide
CID 89386111
3-(Benzhydrylideneamino)-5-morpholin-4-ylthieno[3,2-b]pyran-7-one
CID 135263689
4-(benzhydrylideneamino)-3-hydroxy-N,N-dimethylthiophene-2-carboxamide
CID 140472579
4-(benzhydrylideneamino)-3-methoxy-N-[(3Z)-4-methoxypenta-1,3-dien-2-yl]-N-methylthiophene-2-carboxamide;ethane
CID 142180467
4-(benzhydrylideneamino)-3-methoxy-N-[(2Z,4Z)-2-methoxyhepta-2,4-dien-4-yl]thiophene-2-carboxamide
CID 142883002
Methyl 4-(benzhydrylideneamino)-3-methoxythiophene-2-carboxylate
CID 24798556
4-(benzhydrylideneamino)-3-methoxy-N-[(3Z)-4-methoxypenta-1,3-dien-2-yl]-N-methylthiophene-2-carboxamide
CID 142180468

Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide (CID 59675443) is 4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide is COc1c(N=C(c2ccccc2)c2ccccc2)csc1C(=O)N(C)C.
What is the InChIKey of 4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is XHMKVYZYAJQFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-23(2)21(24)20-19(25-3)17(14-26-20)22-18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,1-3H3.
What are the key properties of 4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide?
4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzhydrylideneamino)-3-methoxy-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 59675443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).