N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide

C28H25NO2S — CID 10194938

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide
SMILESCOc1ccccc1CN(C(=O)c1ccccc1-c1ccsc1)C1Cc2ccccc2C1
InChIInChI=1S/C28H25NO2S/c1-31-27-13-7-4-10-22(27)18-29(24-16-20-8-2-3-9-21(20)17-24)28(30)26-12-6-5-11-25(26)23-14-15-32-19-23/h2-15,19,24H,16-18H2,1H3
InChIKeyONORQQPKMWAIJC-UHFFFAOYSA-N
MW439.58 g/mol
LogP6.23
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide

N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide (PubChem CID 10194938) has the molecular formula C28H25NO2S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide
PubChem CID10194938
Molecular FormulaC28H25NO2S
Molecular Weight439.58 g/mol
Exact Mass439.16
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide
SMILESCOc1ccccc1CN(C(=O)c1ccccc1-c1ccsc1)C1Cc2ccccc2C1
InChIInChI=1S/C28H25NO2S/c1-31-27-13-7-4-10-22(27)18-29(24-16-20-8-2-3-9-21(20)17-24)28(30)26-12-6-5-11-25(26)23-14-15-32-19-23/h2-15,19,24H,16-18H2,1H3
InChIKeyONORQQPKMWAIJC-UHFFFAOYSA-N
XLogP6.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-phenylbenzamide
CID 69326258
N-(2,3-dihydro-1H-inden-2-yl)-N-[(3-methoxyphenyl)methyl]-2-phenylbenzamide
CID 91173289
N-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]benzamide
CID 10127237
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 46986860
N-cyclopropyl-2,3-dimethoxy-N-[[4-(thiophen-3-ylmethoxy)phenyl]methyl]benzamide
CID 118757005
2,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90597025
2-ethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596843
6-[2-[[cyclopropyl-(4-thiophen-3-ylbenzoyl)amino]methyl]phenoxy]hexanoic acid
CID 86281823
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
3,4-dimethoxy-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596857
4-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]benzamide;hydrochloride
CID 119284935
2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119180543

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide (CID 10194938) is N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide is COc1ccccc1CN(C(=O)c1ccccc1-c1ccsc1)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide?
The InChIKey is ONORQQPKMWAIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO2S/c1-31-27-13-7-4-10-22(27)18-29(24-16-20-8-2-3-9-21(20)17-24)28(30)26-12-6-5-11-25(26)23-14-15-32-19-23/h2-15,19,24H,16-18H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide?
N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide has a molecular weight of 439.58 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-thiophen-3-ylbenzamide is sourced from PubChem (CID 10194938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).