N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide

C24H21NO4S — CID 27742540

IUPACN-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1cc(=O)oc2cc(OCc3ccc(C(=O)N(C)Cc4ccsc4)cc3)ccc12
InChIInChI=1S/C24H21NO4S/c1-16-11-23(26)29-22-12-20(7-8-21(16)22)28-14-17-3-5-19(6-4-17)24(27)25(2)13-18-9-10-30-15-18/h3-12,15H,13-14H2,1-2H3
InChIKeyQEVWRHOKXZPMFI-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.01
Rot. Bonds6

About N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide

N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 27742540) has the molecular formula C24H21NO4S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide
PubChem CID27742540
Molecular FormulaC24H21NO4S
Molecular Weight419.50 g/mol
Exact Mass419.12
IUPAC NameN-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide
SMILESCc1cc(=O)oc2cc(OCc3ccc(C(=O)N(C)Cc4ccsc4)cc3)ccc12
InChIInChI=1S/C24H21NO4S/c1-16-11-23(26)29-22-12-20(7-8-21(16)22)28-14-17-3-5-19(6-4-17)24(27)25(2)13-18-9-10-30-15-18/h3-12,15H,13-14H2,1-2H3
InChIKeyQEVWRHOKXZPMFI-UHFFFAOYSA-N
XLogP5.01
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 17465642
7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-4-methylchromen-2-one;hydrochloride
CID 122180434
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
[1-(ethylamino)-1-oxopropan-2-yl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 45352154
4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide
CID 2102682
4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one
CID 14798404
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524874
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 2095409
N-(2,3-dimethylphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 7946928
4-(2-amino-2-oxoethoxy)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18117382
[2-(3-methylbutylamino)-2-oxoethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 16503659
N-(3,4-diethoxyphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 16551304

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide (CID 27742540) is N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide is Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N(C)Cc4ccsc4)cc3)ccc12.
What is the InChIKey of N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is QEVWRHOKXZPMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4S/c1-16-11-23(26)29-22-12-20(7-8-21(16)22)28-14-17-3-5-19(6-4-17)24(27)25(2)13-18-9-10-30-15-18/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide?
N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 419.50 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 27742540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).