2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide

C17H16N2OS — CID 62698319

IUPAC2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide
SMILESNC(=O)C(NCc1ccccc1)c1csc2ccccc12
InChIInChI=1S/C17H16N2OS/c18-17(20)16(19-10-12-6-2-1-3-7-12)14-11-21-15-9-5-4-8-13(14)15/h1-9,11,16,19H,10H2,(H2,18,20)
InChIKeySYOXSZMNXFHMIL-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.22
Rot. Bonds5

About 2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide

2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide (PubChem CID 62698319) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide
PubChem CID62698319
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide
SMILESNC(=O)C(NCc1ccccc1)c1csc2ccccc12
InChIInChI=1S/C17H16N2OS/c18-17(20)16(19-10-12-6-2-1-3-7-12)14-11-21-15-9-5-4-8-13(14)15/h1-9,11,16,19H,10H2,(H2,18,20)
InChIKeySYOXSZMNXFHMIL-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide 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

2-(benzylamino)-2-(2-bromophenyl)acetamide
CID 54889282
(2S)-2-anilino-2-(1-benzothiophen-3-yl)acetic acid
CID 154462738
methyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699634
ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699635
(3S)-3-(1-benzothiophen-3-yl)-3-hydroxypropanoic acid
CID 94550405
methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride
CID 68972931
2-(benzylamino)-2-[4-(difluoromethyl)phenyl]acetamide
CID 115524447
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853
4-(1-benzothiophen-3-yl)-3,4-dihydroxybutanamide
CID 171899320
2-(1-benzothiophen-3-ylmethylamino)-2-phenylacetic acid
CID 62698115
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
1-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-[(4-chlorophenyl)methyl]urea
CID 100727077

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide?
The IUPAC name of 2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide (CID 62698319) is 2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide is NC(=O)C(NCc1ccccc1)c1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide?
The InChIKey is SYOXSZMNXFHMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c18-17(20)16(19-10-12-6-2-1-3-7-12)14-11-21-15-9-5-4-8-13(14)15/h1-9,11,16,19H,10H2,(H2,18,20).
What are the key properties of 2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide?
2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide has a molecular weight of 296.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-2-(benzylamino)acetamide is sourced from PubChem (CID 62698319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).