4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide

C12H18ClNO2S — CID 55204256

IUPAC4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCOCCN(Cc1cccs1)C(=O)CCCCl
InChIInChI=1S/C12H18ClNO2S/c1-16-8-7-14(12(15)5-2-6-13)10-11-4-3-9-17-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyRKDDYOPNQIAGMY-UHFFFAOYSA-N
MW275.80 g/mol
LogP2.74
Rot. Bonds8

About 4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide

4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 55204256) has the molecular formula C12H18ClNO2S and a molecular weight of 275.80 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID55204256
Molecular FormulaC12H18ClNO2S
Molecular Weight275.80 g/mol
Exact Mass275.07
IUPAC Name4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESCOCCN(Cc1cccs1)C(=O)CCCCl
InChIInChI=1S/C12H18ClNO2S/c1-16-8-7-14(12(15)5-2-6-13)10-11-4-3-9-17-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyRKDDYOPNQIAGMY-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-(propan-2-ylamino)-N-(thiophen-2-ylmethyl)butanamide
CID 60939568
N-benzyl-N-(2-methoxyethyl)-4-thiophen-2-ylbutanamide
CID 78781430
2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 46995819
5-[2-methoxyethyl(thiophen-2-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965242
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-(3-methoxypropyl)butanamide
CID 3656553
4-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 63308182
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)octanamide
CID 4288111
N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide
CID 15063295
N-(2-methoxyethyl)-2-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 61365241
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60940281
2-amino-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)pentanamide
CID 54869709
2-(4-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 61113367

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide (CID 55204256) is 4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide is COCCN(Cc1cccs1)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is RKDDYOPNQIAGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2S/c1-16-8-7-14(12(15)5-2-6-13)10-11-4-3-9-17-11/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide?
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 275.80 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 55204256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).