N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide

C24H23NO3S — CID 56675808

IUPACN-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide
SMILESCOc1c(CN(C(=O)c2cccs2)c2ccccc2)ccc2c1OC(C)(C)C=C2
InChIInChI=1S/C24H23NO3S/c1-24(2)14-13-17-11-12-18(21(27-3)22(17)28-24)16-25(19-8-5-4-6-9-19)23(26)20-10-7-15-29-20/h4-15H,16H2,1-3H3
InChIKeyHTJGPJGFRUHDQW-UHFFFAOYSA-N
MW405.52 g/mol
LogP5.79
Rot. Bonds5

About N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide

N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide (PubChem CID 56675808) has the molecular formula C24H23NO3S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide
PubChem CID56675808
Molecular FormulaC24H23NO3S
Molecular Weight405.52 g/mol
Exact Mass405.14
IUPAC NameN-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide
SMILESCOc1c(CN(C(=O)c2cccs2)c2ccccc2)ccc2c1OC(C)(C)C=C2
InChIInChI=1S/C24H23NO3S/c1-24(2)14-13-17-11-12-18(21(27-3)22(17)28-24)16-25(19-8-5-4-6-9-19)23(26)20-10-7-15-29-20/h4-15H,16H2,1-3H3
InChIKeyHTJGPJGFRUHDQW-UHFFFAOYSA-N
XLogP5.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.52
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-butoxy-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 16015934
N-[(4-methoxyphenyl)methyl]-N-phenylthiophene-2-carboxamide
CID 856363
5-(3-methoxyphenyl)-N-methyl-N-phenylthiophene-2-carboxamide
CID 60196707
[2-Methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] thiophene-2-carboxylate
CID 135265435
[5-(2,3-Dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 17493587
5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 18129583
N-benzyl-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]thiophene-2-carboxamide
CID 56658579
N-[(2,2-dimethylchromen-6-yl)methyl]-N-phenylthiophene-2-carboxamide
CID 56675937
(3-Methoxyphenyl)-[5-(thiophen-2-ylmethyl)spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]methanone
CID 134794832
4-phenyl-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine-8-carboxamide
CID 134808464
N-{1-[4-(4-Fluorophenyl)piperazin-1-YL]-1-(thiophen-2-YL)propan-2-YL}-2,3-dimethoxybenzamide
CID 20866473
4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide
CID 141070094

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide (CID 56675808) is N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide is COc1c(CN(C(=O)c2cccs2)c2ccccc2)ccc2c1OC(C)(C)C=C2.
What is the InChIKey of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide?
The InChIKey is HTJGPJGFRUHDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3S/c1-24(2)14-13-17-11-12-18(21(27-3)22(17)28-24)16-25(19-8-5-4-6-9-19)23(26)20-10-7-15-29-20/h4-15H,16H2,1-3H3.
What are the key properties of N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide?
N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxy-2,2-dimethylchromen-7-yl)methyl]-N-phenylthiophene-2-carboxamide is sourced from PubChem (CID 56675808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).