N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide

C11H16ClNOS — CID 15063295

IUPACN-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCCN(Cc1cccs1)C(=O)CCl
InChIInChI=1S/C11H16ClNOS/c1-2-3-6-13(11(14)8-12)9-10-5-4-7-15-10/h4-5,7H,2-3,6,8-9H2,1H3
InChIKeyGKMSSYXDLLSZNI-UHFFFAOYSA-N
MW245.77 g/mol
LogP3.12
Rot. Bonds6

About N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide

N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 15063295) has the molecular formula C11H16ClNOS and a molecular weight of 245.77 g/mol. Its IUPAC name is N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide
PubChem CID15063295
Molecular FormulaC11H16ClNOS
Molecular Weight245.77 g/mol
Exact Mass245.06
IUPAC NameN-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCCN(Cc1cccs1)C(=O)CCl
InChIInChI=1S/C11H16ClNOS/c1-2-3-6-13(11(14)8-12)9-10-5-4-7-15-10/h4-5,7H,2-3,6,8-9H2,1H3
InChIKeyGKMSSYXDLLSZNI-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.77
LogP ≤ 53.12
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

2-[bis(thiophen-2-ylmethyl)carbamoyl-butylamino]acetic acid
CID 118113458
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyl-2-chloropropanamide
CID 4032692
4-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55204256
2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 46995819
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 3772105
N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-2-oxoacetate
CID 166273196
2-[(2-chloroacetyl)-(3-methoxypropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3966116
3-(ethylamino)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 62834920
2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
CID 175704817
N-(3-amino-3-sulfanylidenepropyl)-N-butyl-2-thiophen-2-ylacetamide
CID 82103669

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide (CID 15063295) is N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide is CCCCN(Cc1cccs1)C(=O)CCl.
What is the InChIKey of N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is GKMSSYXDLLSZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-2-3-6-13(11(14)8-12)9-10-5-4-7-15-10/h4-5,7H,2-3,6,8-9H2,1H3.
What are the key properties of N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide?
N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 245.77 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-chloro-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 15063295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).