N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide

C13H13N3O2S — CID 108889107

IUPACN-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide
SMILESCC(=O)N(C(=O)Nc1cccs1)c1ccc(N)cc1
InChIInChI=1S/C13H13N3O2S/c1-9(17)16(11-6-4-10(14)5-7-11)13(18)15-12-3-2-8-19-12/h2-8H,14H2,1H3,(H,15,18)
InChIKeyVJPXEYJRDSAMDL-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.92
Rot. Bonds2

About N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide

N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide (PubChem CID 108889107) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide
PubChem CID108889107
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide
SMILESCC(=O)N(C(=O)Nc1cccs1)c1ccc(N)cc1
InChIInChI=1S/C13H13N3O2S/c1-9(17)16(11-6-4-10(14)5-7-11)13(18)15-12-3-2-8-19-12/h2-8H,14H2,1H3,(H,15,18)
InChIKeyVJPXEYJRDSAMDL-UHFFFAOYSA-N
XLogP2.92
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-[[4-(dimethylamino)phenyl]carbamoyl]acetamide
CID 108894693
1-methyl-1-propan-2-yl-3-thiophen-2-ylurea
CID 131131659
N-(4-aminophenyl)-N-(benzhydrylcarbamoyl)acetamide
CID 108867377
thiophen-2-ylcarbamic acid
CID 19432670
(2S)-2-amino-N-thiophen-2-ylpropanamide
CID 54155210
N-thiophen-2-ylcarbamate
CID 19956166
N-(4-aminophenyl)-N-[(4-methylphenyl)methylcarbamoyl]acetamide
CID 108899030
sodium N-thiophen-2-ylcarbamate
CID 70473734
N-(4-aminophenyl)-N-[(3-bromophenyl)methylcarbamoyl]acetamide
CID 108898789
N-(4-aminophenyl)-N-methyl-2-thiophen-2-ylacetamide
CID 43114422
tert-butyl N-(2-aminoethyl)-N-(thiophen-2-ylcarbamoyl)carbamate
CID 108889283
N-acetyl-N-[4-[4-(4-aminophenyl)buta-1,3-diynyl]phenyl]acetamide
CID 140616487

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide?
The IUPAC name of N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide (CID 108889107) is N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide is CC(=O)N(C(=O)Nc1cccs1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide?
The InChIKey is VJPXEYJRDSAMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9(17)16(11-6-4-10(14)5-7-11)13(18)15-12-3-2-8-19-12/h2-8H,14H2,1H3,(H,15,18).
What are the key properties of N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide?
N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide has a molecular weight of 275.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-(thiophen-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 108889107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).