N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide

C21H21N3O2S — CID 42701383

IUPACN-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCN(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3O2S/c25-20(16-19-12-7-15-27-19)22-13-14-24(18-10-5-2-6-11-18)21(26)23-17-8-3-1-4-9-17/h1-12,15H,13-14,16H2,(H,22,25)(H,23,26)
InChIKeyMTIWSIVIWIASMK-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.15
Rot. Bonds7

About N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide

N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 42701383) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide
PubChem CID42701383
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCN(C(=O)Nc1ccccc1)c1ccccc1
InChIInChI=1S/C21H21N3O2S/c25-20(16-19-12-7-15-27-19)22-13-14-24(18-10-5-2-6-11-18)21(26)23-17-8-3-1-4-9-17/h1-12,15H,13-14,16H2,(H,22,25)(H,23,26)
InChIKeyMTIWSIVIWIASMK-UHFFFAOYSA-N
XLogP4.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
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1-(2-hydroxyethyl)-3-[4-[[2-hydroxyethyl(phenyl)carbamoyl]amino]phenyl]-1-phenylurea
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N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
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N-[2-(N-acetyl-3-bromo-4-methylanilino)ethyl]-2-thiophen-2-ylacetamide
CID 113060405
N-[2-[N-[(4-chlorophenyl)carbamoyl]anilino]ethyl]-3-methylbutanamide
CID 42701379
2-hydroxy-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
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1-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110440328
N-[2-(N-acetylanilino)ethyl]thiophene-2-carboxamide
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N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 113055189

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide (CID 42701383) is N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCN(C(=O)Nc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is MTIWSIVIWIASMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-20(16-19-12-7-15-27-19)22-13-14-24(18-10-5-2-6-11-18)21(26)23-17-8-3-1-4-9-17/h1-12,15H,13-14,16H2,(H,22,25)(H,23,26).
What are the key properties of N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 379.49 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-(phenylcarbamoyl)anilino]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42701383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).