2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide

C11H14ClNO3S2 — CID 4962388

IUPAC2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CCl)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14ClNO3S2/c12-6-11(14)13(7-10-2-1-4-17-10)9-3-5-18(15,16)8-9/h1-2,4,9H,3,5-8H2
InChIKeyQYGLEXRUOCVCLE-UHFFFAOYSA-N
MW307.82 g/mol
LogP1.50
Rot. Bonds4

About 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide

2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4962388) has the molecular formula C11H14ClNO3S2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4962388
Molecular FormulaC11H14ClNO3S2
Molecular Weight307.82 g/mol
Exact Mass307.01
IUPAC Name2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CCl)N(Cc1cccs1)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H14ClNO3S2/c12-6-11(14)13(7-10-2-1-4-17-10)9-3-5-18(15,16)8-9/h1-2,4,9H,3,5-8H2
InChIKeyQYGLEXRUOCVCLE-UHFFFAOYSA-N
XLogP1.50
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethylthiophene-2-carboxamide
CID 18573629
2-chloro-N-methyl-N-(thien-2-ylmethyl)acetamide
CID 2543182
N-(1,1-dioxothiolan-3-yl)-N-methylthiophene-2-carboxamide
CID 3148573
2-chloro-N-(prop-2-en-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 50987501
3-(Cyclopropylmethyl)-1,1-dioxo-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 2819315
3-Propan-2-yl-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3551078
N-cyclopentyl-3-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 52384670
2-chloro-N-(sulfolan-3-yl)-N-(2-phenyl-1-(thiophen-2-yl)ethyl)acetamide
CID 132347064
2-chloro-N-(sulfolan-3-yl)-N-((3-methylthiophen-2-yl)methyl)acetamide
CID 155804397
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 26581864
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 26581865
N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 43020860

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 4962388) is 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide is O=C(CCl)N(Cc1cccs1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QYGLEXRUOCVCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S2/c12-6-11(14)13(7-10-2-1-4-17-10)9-3-5-18(15,16)8-9/h1-2,4,9H,3,5-8H2.
What are the key properties of 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 307.82 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,1-dioxothiolan-3-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4962388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).