N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

C23H24N4O4S — CID 55554074

IUPACN-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1
InChIInChI=1S/C23H24N4O4S/c1-14-12-19(26-22(29)18-6-5-11-31-18)32-20(14)23(30)25-16-13-15(21(24)28)7-8-17(16)27-9-3-2-4-10-27/h5-8,11-13H,2-4,9-10H2,1H3,(H2,24,28)(H,25,30)(H,26,29)
InChIKeyQPEDZBRDTXYKJW-UHFFFAOYSA-N
MW452.54 g/mol
LogP4.24
Rot. Bonds6

About N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide

N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (PubChem CID 55554074) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
PubChem CID55554074
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC NameN-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1
InChIInChI=1S/C23H24N4O4S/c1-14-12-19(26-22(29)18-6-5-11-31-18)32-20(14)23(30)25-16-13-15(21(24)28)7-8-17(16)27-9-3-2-4-10-27/h5-8,11-13H,2-4,9-10H2,1H3,(H2,24,28)(H,25,30)(H,26,29)
InChIKeyQPEDZBRDTXYKJW-UHFFFAOYSA-N
XLogP4.24
TPSA117.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-5-[[2-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 35915273
N-[5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 29284081
N-[5-[[5-(ethylcarbamoyl)-2-methylphenyl]carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 55782529
1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354056
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
2-[3-(furan-2-carbonylamino)-4-[4-(2-methylphenyl)piperazin-1-yl]benzoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 71234204
4-[[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230122
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-(morpholine-4-carbonyl)phenyl]furan-2-carboxamide
CID 126498755
methyl 1-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]-2,3-dihydroindole-5-carboxylate
CID 55514688
N-[5-[(2,5-dimethoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 51297207

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide (CID 55554074) is N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1.
What is the InChIKey of N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
The InChIKey is QPEDZBRDTXYKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-14-12-19(26-22(29)18-6-5-11-31-18)32-20(14)23(30)25-16-13-15(21(24)28)7-8-17(16)27-9-3-2-4-10-27/h5-8,11-13H,2-4,9-10H2,1H3,(H2,24,28)(H,25,30)(H,26,29).
What are the key properties of N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide?
N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55554074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).