N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide

C16H24ClNOS — CID 63391703

IUPACN-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)N(CCCl)C1CCCCC1
InChIInChI=1S/C16H24ClNOS/c17-11-12-18(14-6-2-1-3-7-14)16(19)10-4-8-15-9-5-13-20-15/h5,9,13-14H,1-4,6-8,10-12H2
InChIKeyUBKBYNATDNOABV-UHFFFAOYSA-N
MW313.89 g/mol
LogP4.47
Rot. Bonds7

About N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide

N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide (PubChem CID 63391703) has the molecular formula C16H24ClNOS and a molecular weight of 313.89 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide
PubChem CID63391703
Molecular FormulaC16H24ClNOS
Molecular Weight313.89 g/mol
Exact Mass313.13
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)N(CCCl)C1CCCCC1
InChIInChI=1S/C16H24ClNOS/c17-11-12-18(14-6-2-1-3-7-14)16(19)10-4-8-15-9-5-13-20-15/h5,9,13-14H,1-4,6-8,10-12H2
InChIKeyUBKBYNATDNOABV-UHFFFAOYSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.89
LogP ≤ 54.47
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

N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide
CID 80659406
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 157468797
N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 90611027
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 39968065
N-(2-chloroethyl)-N-pentan-3-yl-4-thiophen-2-ylbutanamide
CID 55186305
N-methyl-N-piperidin-3-yl-4-thiophen-2-ylbutanamide
CID 63642993
1-cyclopentyl-5-thiophen-2-ylpentan-2-one
CID 105092183
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide
CID 106366998
N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide (CID 63391703) is N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide?
The InChIKey is UBKBYNATDNOABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNOS/c17-11-12-18(14-6-2-1-3-7-14)16(19)10-4-8-15-9-5-13-20-15/h5,9,13-14H,1-4,6-8,10-12H2.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide?
N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide has a molecular weight of 313.89 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 63391703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).