2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide

C20H20N2OS2 — CID 173281804

IUPAC2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide
SMILESNC(=O)C1(N(Cc2cccs2)Cc2cccs2)Cc2ccccc2C1
InChIInChI=1S/C20H20N2OS2/c21-19(23)20(11-15-5-1-2-6-16(15)12-20)22(13-17-7-3-9-24-17)14-18-8-4-10-25-18/h1-10H,11-14H2,(H2,21,23)
InChIKeyJJPIHBQYJCKCLR-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.83
Rot. Bonds6

About 2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide

2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide (PubChem CID 173281804) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide
PubChem CID173281804
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC Name2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide
SMILESNC(=O)C1(N(Cc2cccs2)Cc2cccs2)Cc2ccccc2C1
InChIInChI=1S/C20H20N2OS2/c21-19(23)20(11-15-5-1-2-6-16(15)12-20)22(13-17-7-3-9-24-17)14-18-8-4-10-25-18/h1-10H,11-14H2,(H2,21,23)
InChIKeyJJPIHBQYJCKCLR-UHFFFAOYSA-N
XLogP3.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 97042716
N-(2-amino-2-oxoethyl)-N-(thiophen-2-ylmethyl)benzamide;benzene
CID 144887997
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
methyl 2-(thiophen-2-ylmethylamino)-1,3-dihydroindene-2-carboxylate
CID 61001704
2-[[sulfamoyl(thiophen-2-ylmethyl)amino]methyl]thiophene
CID 112684189
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
1-amino-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 112708944
N'-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97042696
4-amino-N-methyl-N-(thiophen-2-ylmethyl)cyclohexane-1-carboxamide
CID 54928756
1-N-cyclopropyl-1-N-(thiophen-2-ylmethyl)cyclobutane-1,3-diamine
CID 80561825
6-thiophen-2-ylhexanamide
CID 137320292

Frequently Asked Questions

What is the IUPAC name of 2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide (CID 173281804) is 2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide is NC(=O)C1(N(Cc2cccs2)Cc2cccs2)Cc2ccccc2C1.
What is the InChIKey of 2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide?
The InChIKey is JJPIHBQYJCKCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c21-19(23)20(11-15-5-1-2-6-16(15)12-20)22(13-17-7-3-9-24-17)14-18-8-4-10-25-18/h1-10H,11-14H2,(H2,21,23).
What are the key properties of 2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide?
2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide has a molecular weight of 368.53 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(thiophen-2-ylmethyl)amino]-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 173281804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).