2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide

C21H21N3O2S — CID 8730419

IUPAC2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide
SMILESCN(CC(=O)Nc1sccc1C(N)=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3O2S/c1-24(14-18(25)23-21-17(20(22)26)12-13-27-21)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,14H2,1H3,(H2,22,26)(H,23,25)
InChIKeyGNXYJZSCRCAIOG-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.51
Rot. Bonds7

About 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide

2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide (PubChem CID 8730419) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide
PubChem CID8730419
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide
SMILESCN(CC(=O)Nc1sccc1C(N)=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3O2S/c1-24(14-18(25)23-21-17(20(22)26)12-13-27-21)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,14H2,1H3,(H2,22,26)(H,23,25)
InChIKeyGNXYJZSCRCAIOG-UHFFFAOYSA-N
XLogP3.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-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

2-[benzhydryl(methyl)amino]-N-phenylacetamide
CID 8730173
2-[[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63646484
2-[[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide
CID 9028907
2-[(2-chloro-2-phenylacetyl)amino]thiophene-3-carboxamide
CID 43470594
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]thiophene-3-carboxamide
CID 80550057
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]acetamide
CID 8693314
2-[[2-[3-hydroxypropyl(propan-2-yl)amino]acetyl]amino]thiophene-3-carboxamide
CID 62022573
2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
benzhydryl-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]azanium
CID 9445948
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248820
2-[2-[methyl(3-methylbutyl)amino]propanoylamino]thiophene-3-carboxamide
CID 47287881

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide (CID 8730419) is 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide is CN(CC(=O)Nc1sccc1C(N)=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is GNXYJZSCRCAIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-24(14-18(25)23-21-17(20(22)26)12-13-27-21)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,19H,14H2,1H3,(H2,22,26)(H,23,25).
What are the key properties of 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzhydryl(methyl)amino]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 8730419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).