N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide

C21H18N2O2S — CID 55460514

IUPACN-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CCc2ccccc21)c1ccsc1
InChIInChI=1S/C21H18N2O2S/c24-20(15-11-12-26-13-15)22-18-8-4-3-7-17(18)21(25)23-19-10-9-14-5-1-2-6-16(14)19/h1-8,11-13,19H,9-10H2,(H,22,24)(H,23,25)
InChIKeyKSYDHVNDFZUUAJ-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.42
Rot. Bonds4

About N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide

N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide (PubChem CID 55460514) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide
PubChem CID55460514
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NC1CCc2ccccc21)c1ccsc1
InChIInChI=1S/C21H18N2O2S/c24-20(15-11-12-26-13-15)22-18-8-4-3-7-17(18)21(25)23-19-10-9-14-5-1-2-6-16(14)19/h1-8,11-13,19H,9-10H2,(H,22,24)(H,23,25)
InChIKeyKSYDHVNDFZUUAJ-UHFFFAOYSA-N
XLogP4.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(piperidin-4-ylcarbamoyl)phenyl]thiophene-3-carboxamide
CID 119387878
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
N-(2,3-dihydro-1H-inden-1-yl)-2-methylfuran-3-carboxamide
CID 47015555
2,5-dichloro-N-(2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 51273724
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-3-carboxamide
CID 80554577
3-bromo-2-chloro-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 103981419
N-[2-(4-methylpiperazine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 39652535
2-[bis(4-hydroxyphenyl)methyl]-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 19938162
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976369
2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide
CID 9397114

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide (CID 55460514) is N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1C(=O)NC1CCc2ccccc21)c1ccsc1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide?
The InChIKey is KSYDHVNDFZUUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c24-20(15-11-12-26-13-15)22-18-8-4-3-7-17(18)21(25)23-19-10-9-14-5-1-2-6-16(14)19/h1-8,11-13,19H,9-10H2,(H,22,24)(H,23,25).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide?
N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 55460514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).