N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide

C19H17ClFN3O3S — CID 55701949

IUPACN-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(NC(=O)N(C)Cc2ccc(Cl)s2)ccc1F
InChIInChI=1S/C19H17ClFN3O3S/c1-11-14(7-8-27-11)18(25)23-16-9-12(3-5-15(16)21)22-19(26)24(2)10-13-4-6-17(20)28-13/h3-9H,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyHUXPSKLZMCJOJG-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.36
Rot. Bonds5

About N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide

N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide (PubChem CID 55701949) has the molecular formula C19H17ClFN3O3S and a molecular weight of 421.88 g/mol. Its IUPAC name is N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
PubChem CID55701949
Molecular FormulaC19H17ClFN3O3S
Molecular Weight421.88 g/mol
Exact Mass421.07
IUPAC NameN-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(NC(=O)N(C)Cc2ccc(Cl)s2)ccc1F
InChIInChI=1S/C19H17ClFN3O3S/c1-11-14(7-8-27-11)18(25)23-16-9-12(3-5-15(16)21)22-19(26)24(2)10-13-4-6-17(20)28-13/h3-9H,10H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyHUXPSKLZMCJOJG-UHFFFAOYSA-N
XLogP5.36
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[2-(2,4-dichlorophenyl)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707274
N-[5-[[2-(2-chlorophenoxy)acetyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46469629
N-[5-[(4-cyanobenzoyl)amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 46466434
N-[5-[2-(3-chlorophenoxy)propanoylamino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707775
3-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
CID 55698318
N-[2-fluoro-5-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 55707540
N-[2-fluoro-5-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 96531126
N-[5-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide
CID 55707606
N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 55716212
methyl 2-fluoro-4-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]benzoate
CID 71917452
N-[2-fluoro-5-[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]phenyl]-2-methylfuran-3-carboxamide
CID 96531122
3-ethylsulfanyl-N-[4-fluoro-3-[(2-methylfuran-3-carbonyl)amino]phenyl]azepane-1-carboxamide
CID 86939136

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide (CID 55701949) is N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(NC(=O)N(C)Cc2ccc(Cl)s2)ccc1F.
What is the InChIKey of N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
The InChIKey is HUXPSKLZMCJOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3S/c1-11-14(7-8-27-11)18(25)23-16-9-12(3-5-15(16)21)22-19(26)24(2)10-13-4-6-17(20)28-13/h3-9H,10H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide?
N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide has a molecular weight of 421.88 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]-2-fluorophenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55701949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).