2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide

C10H14ClNOS — CID 39248066

IUPAC2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)N(Cc1cccs1)C(=O)CCl
InChIInChI=1S/C10H14ClNOS/c1-8(2)12(10(13)6-11)7-9-4-3-5-14-9/h3-5,8H,6-7H2,1-2H3
InChIKeyPBMUVWFKGDSFNJ-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide

2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 39248066) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID39248066
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(C)N(Cc1cccs1)C(=O)CCl
InChIInChI=1S/C10H14ClNOS/c1-8(2)12(10(13)6-11)7-9-4-3-5-14-9/h3-5,8H,6-7H2,1-2H3
InChIKeyPBMUVWFKGDSFNJ-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
3-(tert-butylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 61452589
2-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289696
2-anilino-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119723936
2-(cyclopropylamino)-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 54946285
2-methoxy-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 112686946
2-amino-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 54946987
2-amino-2-ethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 79814434
2-(aminomethyl)-3-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 65228797

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide (CID 39248066) is 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide is CC(C)N(Cc1cccs1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is PBMUVWFKGDSFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-8(2)12(10(13)6-11)7-9-4-3-5-14-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide?
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 231.75 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 39248066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).