2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide

C12H17IN2OS — CID 119771084

IUPAC2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide
SMILESO=C(CNCC1CC1)NCCc1ccc(I)s1
InChIInChI=1S/C12H17IN2OS/c13-11-4-3-10(17-11)5-6-15-12(16)8-14-7-9-1-2-9/h3-4,9,14H,1-2,5-8H2,(H,15,16)
InChIKeyQMWCLQRBSCVQDL-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.01
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide

2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide (PubChem CID 119771084) has the molecular formula C12H17IN2OS and a molecular weight of 364.25 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide
PubChem CID119771084
Molecular FormulaC12H17IN2OS
Molecular Weight364.25 g/mol
Exact Mass364.01
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide
SMILESO=C(CNCC1CC1)NCCc1ccc(I)s1
InChIInChI=1S/C12H17IN2OS/c13-11-4-3-10(17-11)5-6-15-12(16)8-14-7-9-1-2-9/h3-4,9,14H,1-2,5-8H2,(H,15,16)
InChIKeyQMWCLQRBSCVQDL-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide (CID 119771084) is 2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide is O=C(CNCC1CC1)NCCc1ccc(I)s1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide?
The InChIKey is QMWCLQRBSCVQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2OS/c13-11-4-3-10(17-11)5-6-15-12(16)8-14-7-9-1-2-9/h3-4,9,14H,1-2,5-8H2,(H,15,16).
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide?
2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide has a molecular weight of 364.25 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(5-iodothiophen-2-yl)ethyl]acetamide is sourced from PubChem (CID 119771084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).