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

C12H16N2O2S — CID 47102251

IUPACN-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccsc1)NCCNC(=O)C1CC1
InChIInChI=1S/C12H16N2O2S/c15-11(7-9-3-6-17-8-9)13-4-5-14-12(16)10-1-2-10/h3,6,8,10H,1-2,4-5,7H2,(H,13,15)(H,14,16)
InChIKeyKKLITQMXJUXEAY-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.93
Rot. Bonds6

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

N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 47102251) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide
PubChem CID47102251
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide
SMILESO=C(Cc1ccsc1)NCCNC(=O)C1CC1
InChIInChI=1S/C12H16N2O2S/c15-11(7-9-3-6-17-8-9)13-4-5-14-12(16)10-1-2-10/h3,6,8,10H,1-2,4-5,7H2,(H,13,15)(H,14,16)
InChIKeyKKLITQMXJUXEAY-UHFFFAOYSA-N
XLogP0.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-thiophen-3-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 18140749
N-(6-bromohexyl)-2-thiophen-3-ylacetamide
CID 107847604
2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 107831984
1-(4-aminocyclohexyl)-2-thiophen-3-ylethanone
CID 116557404
(3R)-N-(2-thiophen-3-ylethyl)piperidine-3-carboxamide
CID 81140487
2-[2-[2-(cyclopropanecarbonylamino)ethylamino]-2-oxoethyl]benzoic acid
CID 115923610
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 108538634
N-(pyrrolidin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 71644965
N-(5-bromo-4-methylpentyl)-2-thiophen-3-ylacetamide
CID 106158024
1-(azetidin-3-yl)-2-thiophen-3-ylethanone
CID 116583807
N-[2-(3-phenylpropanoylamino)ethyl]cyclopropanecarboxamide
CID 51165684
N-(2-hydroxycyclohexyl)-2-thiophen-3-ylacetamide
CID 62359044

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide (CID 47102251) is N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide is O=C(Cc1ccsc1)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is KKLITQMXJUXEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-11(7-9-3-6-17-8-9)13-4-5-14-12(16)10-1-2-10/h3,6,8,10H,1-2,4-5,7H2,(H,13,15)(H,14,16).
What are the key properties of N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 252.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-thiophen-3-ylacetyl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 47102251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).