N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

C18H20N2O3S — CID 52907474

IUPACN-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C18H20N2O3S/c1-23-15-6-3-2-5-13(15)8-9-19-17(21)14-11-20(12-14)18(22)16-7-4-10-24-16/h2-7,10,14H,8-9,11-12H2,1H3,(H,19,21)
InChIKeyNPNMUQSQUMTOJZ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.19
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (PubChem CID 52907474) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
PubChem CID52907474
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)C1CN(C(=O)c2cccs2)C1
InChIInChI=1S/C18H20N2O3S/c1-23-15-6-3-2-5-13(15)8-9-19-17(21)14-11-20(12-14)18(22)16-7-4-10-24-16/h2-7,10,14H,8-9,11-12H2,1H3,(H,19,21)
InChIKeyNPNMUQSQUMTOJZ-UHFFFAOYSA-N
XLogP2.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27757040
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 24719212
1-(thiophene-2-carbonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]azetidine-3-carboxamide
CID 90511251
N-(3,4-dimethoxyphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511138
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
N-benzyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511042
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 27757083
1-(thiophene-2-carbonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 46556807
1-(thiophene-2-carbonyl)-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
CID 90511244
1-(thiophene-2-carbonyl)-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide
CID 90511056
N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511031
(3R,6S)-6-(dimethylamino)-N-[2-(2-methoxyphenyl)ethyl]-1-methylazepane-3-carboxamide
CID 165427863

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide (CID 52907474) is N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is COc1ccccc1CCNC(=O)C1CN(C(=O)c2cccs2)C1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
The InChIKey is NPNMUQSQUMTOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-23-15-6-3-2-5-13(15)8-9-19-17(21)14-11-20(12-14)18(22)16-7-4-10-24-16/h2-7,10,14H,8-9,11-12H2,1H3,(H,19,21).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1-(thiophene-2-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 52907474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).