4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide

C22H22N2O2S — CID 59675188

IUPAC4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide
SMILESCOc1c(C(=O)N(C)C)sc(C)c1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O2S/c1-15-18(20(26-4)21(27-15)22(25)24(2)3)23-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,1-4H3
InChIKeyDTXCNDPHANKKFQ-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.94
Rot. Bonds5

About 4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide

4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide (PubChem CID 59675188) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide
PubChem CID59675188
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide
SMILESCOc1c(C(=O)N(C)C)sc(C)c1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2O2S/c1-15-18(20(26-4)21(27-15)22(25)24(2)3)23-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,1-4H3
InChIKeyDTXCNDPHANKKFQ-UHFFFAOYSA-N
XLogP4.94
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide?
The IUPAC name of 4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide (CID 59675188) is 4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide.
What is the SMILES notation for 4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide?
The canonical SMILES for 4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide is COc1c(C(=O)N(C)C)sc(C)c1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide?
The InChIKey is DTXCNDPHANKKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-15-18(20(26-4)21(27-15)22(25)24(2)3)23-19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,1-4H3.
What are the key properties of 4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide?
4-(benzhydrylideneamino)-3-methoxy-N,N,5-trimethylthiophene-2-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.94, 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,5-trimethylthiophene-2-carboxamide is sourced from PubChem (CID 59675188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).