5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide

C19H22N2O2S — CID 18139468

IUPAC5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NCC2(c3ccccc3)CCC2)s1
InChIInChI=1S/C19H22N2O2S/c1-14-8-9-16(24-14)18(23)20-12-17(22)21-13-19(10-5-11-19)15-6-3-2-4-7-15/h2-4,6-9H,5,10-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyRZJUKBGCOIHQRB-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.02
Rot. Bonds6

About 5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide

5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide (PubChem CID 18139468) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide
PubChem CID18139468
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)NCC2(c3ccccc3)CCC2)s1
InChIInChI=1S/C19H22N2O2S/c1-14-8-9-16(24-14)18(23)20-12-17(22)21-13-19(10-5-11-19)15-6-3-2-4-7-15/h2-4,6-9H,5,10-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyRZJUKBGCOIHQRB-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methylthiophen-2-yl)-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide
CID 18139455
[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl] 5-methylthiophene-2-carboxylate
CID 30407713
N-[2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 115362304
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid
CID 79844424
2-(2-methoxyethylamino)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 119699125
2-(methylcarbamoylamino)-N-[(1-phenylcycloheptyl)methyl]acetamide
CID 136518370
1-[[(5-methylthiophene-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362670
N-[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl]-2-phenylacetamide
CID 42145846
2-(2-methoxyethylamino)-N-[(1-phenylcyclopentyl)methyl]acetamide;hydrochloride
CID 119698187
5-methyl-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18114779
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide (CID 18139468) is 5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)NCC2(c3ccccc3)CCC2)s1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is RZJUKBGCOIHQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-14-8-9-16(24-14)18(23)20-12-17(22)21-13-19(10-5-11-19)15-6-3-2-4-7-15/h2-4,6-9H,5,10-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18139468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).