N-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide

C20H19N3O3S — CID 67401207

IUPACN-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide
SMILESCOC(C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccsc1
InChIInChI=1S/C20H19N3O3S/c1-26-18(14-10-11-27-12-14)20(25)22-15-8-6-13(7-9-15)19(24)23-17-5-3-2-4-16(17)21/h2-12,18H,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyKYIAIIGXAWNHMZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.91
Rot. Bonds6

About N-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide

N-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide (PubChem CID 67401207) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide
PubChem CID67401207
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide
SMILESCOC(C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccsc1
InChIInChI=1S/C20H19N3O3S/c1-26-18(14-10-11-27-12-14)20(25)22-15-8-6-13(7-9-15)19(24)23-17-5-3-2-4-16(17)21/h2-12,18H,21H2,1H3,(H,22,25)(H,23,24)
InChIKeyKYIAIIGXAWNHMZ-UHFFFAOYSA-N
XLogP3.91
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide
CID 22668078
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
4-[(2-methoxy-2-phenylacetyl)amino]benzamide
CID 2896452
tert-butyl N-[2-[[4-[(2-methoxy-2-pyridin-3-ylacetyl)amino]benzoyl]amino]phenyl]carbamate
CID 22668094
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide
CID 68776056
pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
CID 102467936
N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 24752952
N-(2-aminophenyl)-4-(3-phenylpropanoylamino)benzamide
CID 11394274
4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline
CID 160598237

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide (CID 67401207) is N-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide is COC(C(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1)c1ccsc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide?
The InChIKey is KYIAIIGXAWNHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-26-18(14-10-11-27-12-14)20(25)22-15-8-6-13(7-9-15)19(24)23-17-5-3-2-4-16(17)21/h2-12,18H,21H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide?
N-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide has a molecular weight of 381.46 g/mol, XLogP of 3.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(2-methoxy-2-thiophen-3-ylacetyl)amino]benzamide is sourced from PubChem (CID 67401207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).