N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide

C19H20BrNO2S — CID 31278501

IUPACN-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide
SMILESCN(Cc1ccc(Br)s1)C(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H20BrNO2S/c1-21(12-16-7-9-18(20)24-16)19(23)10-8-17(22)15-6-5-13-3-2-4-14(13)11-15/h5-7,9,11H,2-4,8,10,12H2,1H3
InChIKeyWDKWSFZLPWKXES-UHFFFAOYSA-N
MW406.35 g/mol
LogP4.62
Rot. Bonds6

About N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide

N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide (PubChem CID 31278501) has the molecular formula C19H20BrNO2S and a molecular weight of 406.35 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide
PubChem CID31278501
Molecular FormulaC19H20BrNO2S
Molecular Weight406.35 g/mol
Exact Mass405.04
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide
SMILESCN(Cc1ccc(Br)s1)C(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H20BrNO2S/c1-21(12-16-7-9-18(20)24-16)19(23)10-8-17(22)15-6-5-13-3-2-4-14(13)11-15/h5-7,9,11H,2-4,8,10,12H2,1H3
InChIKeyWDKWSFZLPWKXES-UHFFFAOYSA-N
XLogP4.62
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide
CID 9108866
N-[(5-bromo-2-fluorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide
CID 55580795
N,N-dimethyl-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 82121263
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 9298717
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide
CID 86911345
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18114829
N-[2-[(5-bromothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 9119855
3-[[benzyl(methyl)carbamoyl]amino]-N-[(5-bromothiophen-2-yl)methyl]-N-methylpropanamide
CID 56516070
1-(aziridin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 82117888
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-oxobutanamide
CID 60622864

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide (CID 31278501) is N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide is CN(Cc1ccc(Br)s1)C(=O)CCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide?
The InChIKey is WDKWSFZLPWKXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2S/c1-21(12-16-7-9-18(20)24-16)19(23)10-8-17(22)15-6-5-13-3-2-4-14(13)11-15/h5-7,9,11H,2-4,8,10,12H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide?
N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide has a molecular weight of 406.35 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-4-oxobutanamide is sourced from PubChem (CID 31278501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).