N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C22H25N3O3S — CID 86882621

IUPACN-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)CNC(=O)c1cc2c(s1)CCCC2)C(=O)N1CCc2ccccc21
InChIInChI=1S/C22H25N3O3S/c1-14(22(28)25-11-10-15-6-2-4-8-17(15)25)24-20(26)13-23-21(27)19-12-16-7-3-5-9-18(16)29-19/h2,4,6,8,12,14H,3,5,7,9-11,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyXXIHRXFJBIYBSZ-UHFFFAOYSA-N
MW411.53 g/mol
LogP2.45
Rot. Bonds5

About N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 86882621) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID86882621
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCC(NC(=O)CNC(=O)c1cc2c(s1)CCCC2)C(=O)N1CCc2ccccc21
InChIInChI=1S/C22H25N3O3S/c1-14(22(28)25-11-10-15-6-2-4-8-17(15)25)24-20(26)13-23-21(27)19-12-16-7-3-5-9-18(16)29-19/h2,4,6,8,12,14H,3,5,7,9-11,13H2,1H3,(H,23,27)(H,24,26)
InChIKeyXXIHRXFJBIYBSZ-UHFFFAOYSA-N
XLogP2.45
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide 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-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 51125676
N-[2-oxo-2-[[(1S)-1-pyridin-2-ylethyl]amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 95146737
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 23972121
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]acetamide
CID 86881488
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544
(2S)-2-[[2-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)acetyl]amino]-4-methylpentanoic acid
CID 120695133
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-(3-methoxyphenyl)acetamide
CID 53125892
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 86882621) is N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CC(NC(=O)CNC(=O)c1cc2c(s1)CCCC2)C(=O)N1CCc2ccccc21.
What is the InChIKey of N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is XXIHRXFJBIYBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-14(22(28)25-11-10-15-6-2-4-8-17(15)25)24-20(26)13-23-21(27)19-12-16-7-3-5-9-18(16)29-19/h2,4,6,8,12,14H,3,5,7,9-11,13H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 411.53 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 86882621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).