N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide

C18H20ClNOS — CID 134040980

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H20ClNOS/c1-2-20(13-15-9-10-16(19)22-15)17(21)18(11-6-12-18)14-7-4-3-5-8-14/h3-5,7-10H,2,6,11-13H2,1H3
InChIKeyWWWCUXQYIJAOGF-UHFFFAOYSA-N
MW333.88 g/mol
LogP4.87
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide (PubChem CID 134040980) has the molecular formula C18H20ClNOS and a molecular weight of 333.88 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide
PubChem CID134040980
Molecular FormulaC18H20ClNOS
Molecular Weight333.88 g/mol
Exact Mass333.10
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C1(c2ccccc2)CCC1
InChIInChI=1S/C18H20ClNOS/c1-2-20(13-15-9-10-16(19)22-15)17(21)18(11-6-12-18)14-7-4-3-5-8-14/h3-5,7-10H,2,6,11-13H2,1H3
InChIKeyWWWCUXQYIJAOGF-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.88
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclobutane-1-carboxamide
CID 113311611
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452737
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylcycloheptane-1-carboxamide
CID 115443872
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061
N,N-diethyl-4-phenylpiperidine-4-carboxamide
CID 22361711
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenylpentanamide
CID 55361168
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-phenoxypropanamide
CID 42891269
N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
CID 39911714
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119688298
N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide
CID 63392759

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide (CID 134040980) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide?
The InChIKey is WWWCUXQYIJAOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNOS/c1-2-20(13-15-9-10-16(19)22-15)17(21)18(11-6-12-18)14-7-4-3-5-8-14/h3-5,7-10H,2,6,11-13H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide has a molecular weight of 333.88 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 134040980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).