N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide

C15H22ClNOS — CID 106366998

IUPACN-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NC1CCCCC1CCl
InChIInChI=1S/C15H22ClNOS/c16-11-12-5-1-2-8-14(12)17-15(18)9-3-6-13-7-4-10-19-13/h4,7,10,12,14H,1-3,5-6,8-9,11H2,(H,17,18)
InChIKeyFFCXXKYUJNJGAF-UHFFFAOYSA-N
MW299.87 g/mol
LogP3.98
Rot. Bonds6

About N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide

N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide (PubChem CID 106366998) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide
PubChem CID106366998
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC NameN-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NC1CCCCC1CCl
InChIInChI=1S/C15H22ClNOS/c16-11-12-5-1-2-8-14(12)17-15(18)9-3-6-13-7-4-10-19-13/h4,7,10,12,14H,1-3,5-6,8-9,11H2,(H,17,18)
InChIKeyFFCXXKYUJNJGAF-UHFFFAOYSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide
CID 103751345
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
CID 55064170
N-[2-(piperidin-1-ylmethyl)cyclohexyl]-3-thiophen-2-ylpropanamide
CID 74340203
3-(4-thiophen-2-ylbutanoylamino)cyclohexane-1-carboxylic acid
CID 63042020
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid
CID 66221199
N-(2-aminocyclohexyl)-2-thiophen-2-ylacetamide
CID 19750865
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646
cis-(1R,3S)-3-(6-thiophen-2-ylhexanoylamino)cyclopentane-1-carboxylic acid
CID 120677312
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-thiophen-2-ylbutanamide
CID 135112135
1-cyclopentyl-5-thiophen-2-ylpentan-2-one
CID 105092183
N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide
CID 63391703

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide (CID 106366998) is N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NC1CCCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide?
The InChIKey is FFCXXKYUJNJGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c16-11-12-5-1-2-8-14(12)17-15(18)9-3-6-13-7-4-10-19-13/h4,7,10,12,14H,1-3,5-6,8-9,11H2,(H,17,18).
What are the key properties of N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide?
N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide has a molecular weight of 299.87 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 106366998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).