2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide

C18H21N3O4S — CID 47713489

IUPAC2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)N1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C18H21N3O4S/c1-12-15(4-8-25-12)18(24)19-10-16(22)21-6-2-14(3-7-21)20-17(23)13-5-9-26-11-13/h4-5,8-9,11,14H,2-3,6-7,10H2,1H3,(H,19,24)(H,20,23)
InChIKeyLCDLLTROHXYUHG-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.80
Rot. Bonds5

About 2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide

2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide (PubChem CID 47713489) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide
PubChem CID47713489
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)N1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C18H21N3O4S/c1-12-15(4-8-25-12)18(24)19-10-16(22)21-6-2-14(3-7-21)20-17(23)13-5-9-26-11-13/h4-5,8-9,11,14H,2-3,6-7,10H2,1H3,(H,19,24)(H,20,23)
InChIKeyLCDLLTROHXYUHG-UHFFFAOYSA-N
XLogP1.80
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]furan-3-carboxamide
CID 94812013
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CID 119305242
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-[1-(2-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 126783823
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47071577
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55851005
N-[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 51092675
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752077
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55830266
N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 111106047
2-methyl-N-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]furan-3-carboxamide;hydrochloride
CID 119771793

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide (CID 47713489) is 2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide is Cc1occc1C(=O)NCC(=O)N1CCC(NC(=O)c2ccsc2)CC1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide?
The InChIKey is LCDLLTROHXYUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12-15(4-8-25-12)18(24)19-10-16(22)21-6-2-14(3-7-21)20-17(23)13-5-9-26-11-13/h4-5,8-9,11,14H,2-3,6-7,10H2,1H3,(H,19,24)(H,20,23).
What are the key properties of 2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide?
2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[4-(thiophene-3-carbonylamino)piperidin-1-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 47713489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).