N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide

C16H16N2O2S — CID 18140749

IUPACN-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccsc1)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C16H16N2O2S/c19-15(9-11-7-8-21-10-11)17-13-3-5-14(6-4-13)18-16(20)12-1-2-12/h3-8,10,12H,1-2,9H2,(H,17,19)(H,18,20)
InChIKeyWHGYUDUWOXGQHH-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.28
Rot. Bonds5

About N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide

N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide (PubChem CID 18140749) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide
PubChem CID18140749
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccsc1)Nc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C16H16N2O2S/c19-15(9-11-7-8-21-10-11)17-13-3-5-14(6-4-13)18-16(20)12-1-2-12/h3-8,10,12H,1-2,9H2,(H,17,19)(H,18,20)
InChIKeyWHGYUDUWOXGQHH-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-di(thiophen-3-yl)cyclohexane-1,4-dicarboxamide
CID 171722281
N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide
CID 47102251
2-thiophen-3-yl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962160
3-[4-(cyclopropanecarbonylamino)anilino]-3-oxopropanoic acid
CID 62232243
N-[4-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 34431377
N-[3-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]phenyl]cyclopropanecarboxamide
CID 47033602
N-(3-hydroxy-4-methylphenyl)-2-thiophen-3-ylacetamide
CID 64792905
N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxamide
CID 42244842
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989
N-[4-(4-hydroxybutanoylamino)phenyl]cyclopropanecarboxamide
CID 79193047
N-(4-bromo-3-methylphenyl)-2-thiophen-3-ylacetamide
CID 2486757
N-(4-amino-3-chlorophenyl)-2-thiophen-3-ylacetamide
CID 82862101

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide (CID 18140749) is N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide is O=C(Cc1ccsc1)Nc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide?
The InChIKey is WHGYUDUWOXGQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c19-15(9-11-7-8-21-10-11)17-13-3-5-14(6-4-13)18-16(20)12-1-2-12/h3-8,10,12H,1-2,9H2,(H,17,19)(H,18,20).
What are the key properties of N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide?
N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 18140749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).