N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide

C16H18ClNOS — CID 52572631

IUPACN-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
SMILESCCN(Cc1ccccc1Cl)C(=O)CCc1cccs1
InChIInChI=1S/C16H18ClNOS/c1-2-18(12-13-6-3-4-8-15(13)17)16(19)10-9-14-7-5-11-20-14/h3-8,11H,2,9-10,12H2,1H3
InChIKeyLQBNOWOIILRXOT-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.38
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide

N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide (PubChem CID 52572631) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
PubChem CID52572631
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC NameN-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide
SMILESCCN(Cc1ccccc1Cl)C(=O)CCc1cccs1
InChIInChI=1S/C16H18ClNOS/c1-2-18(12-13-6-3-4-8-15(13)17)16(19)10-9-14-7-5-11-20-14/h3-8,11H,2,9-10,12H2,1H3
InChIKeyLQBNOWOIILRXOT-UHFFFAOYSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 78801832
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
N-[2-(dimethylamino)ethyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 70852374
N-[(2-chlorophenyl)methyl]-N-methyl-2-thiophen-2-ylethanamine;hydrochloride
CID 71750260
2-[(2-chlorophenyl)methyl-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78788041
3-amino-N-ethyl-N-(2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119292705
2-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylpropanamide
CID 61265237
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
N-[(2-chlorophenyl)methyl]-N-ethyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55636728
N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 55429790
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide (CID 52572631) is N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide is CCN(Cc1ccccc1Cl)C(=O)CCc1cccs1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide?
The InChIKey is LQBNOWOIILRXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-2-18(12-13-6-3-4-8-15(13)17)16(19)10-9-14-7-5-11-20-14/h3-8,11H,2,9-10,12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide?
N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide has a molecular weight of 307.85 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 52572631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).