N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide

C15H14ClNO3S — CID 88672143

IUPACN-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(OCC2CO2)c(Cl)c1
InChIInChI=1S/C15H14ClNO3S/c16-13-6-10(3-4-14(13)20-9-11-8-19-11)17-15(18)7-12-2-1-5-21-12/h1-6,11H,7-9H2,(H,17,18)
InChIKeyKUHLNTCPDGPNNX-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.36
Rot. Bonds6

About N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide

N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 88672143) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide
PubChem CID88672143
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC NameN-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(OCC2CO2)c(Cl)c1
InChIInChI=1S/C15H14ClNO3S/c16-13-6-10(3-4-14(13)20-9-11-8-19-11)17-15(18)7-12-2-1-5-21-12/h1-6,11H,7-9H2,(H,17,18)
InChIKeyKUHLNTCPDGPNNX-UHFFFAOYSA-N
XLogP3.36
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-[3-cyano-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 13217663
3-amino-N-[3-chloro-4-[(2-thiophen-2-ylacetyl)amino]phenyl]propanamide
CID 82034683
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-thiophen-2-ylacetamide
CID 24632484
N-[[3-chloro-4-(thiophen-2-ylmethoxy)phenyl]carbamoyl]-2-methylbenzamide
CID 20524384
N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 17443162
N-[3-bromo-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2-thiophen-2-ylacetamide
CID 70449999
N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide
CID 112986929
N-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]cyclopropanecarboxamide
CID 46570342
N-[4-(2-methoxyethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 47183041
N-[5-(3-chloro-4-methylanilino)-2-pyridinyl]-2-thiophen-2-ylacetamide
CID 113033626
2-chloro-N-[3-chloro-4-(cyclopentylmethoxy)phenyl]acetamide
CID 146657640
N-(2-chloro-4,5-dimethoxyphenyl)-2-thiophen-2-ylacetamide
CID 18139931

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide (CID 88672143) is N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(OCC2CO2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is KUHLNTCPDGPNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-13-6-10(3-4-14(13)20-9-11-8-19-11)17-15(18)7-12-2-1-5-21-12/h1-6,11H,7-9H2,(H,17,18).
What are the key properties of N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide?
N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 323.80 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(oxiran-2-ylmethoxy)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 88672143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).