N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide

C24H19ClN2O3S — CID 30785207

IUPACN-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H19ClN2O3S/c25-19-6-1-4-17-5-2-8-21(23(17)19)31-15-22(28)26-14-16-9-11-18(12-10-16)27-24(29)20-7-3-13-30-20/h1-13H,14-15H2,(H,26,28)(H,27,29)
InChIKeyQBUDYCFIYXCSLU-UHFFFAOYSA-N
MW450.95 g/mol
LogP5.75
Rot. Bonds7

About N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 30785207) has the molecular formula C24H19ClN2O3S and a molecular weight of 450.95 g/mol. Its IUPAC name is N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID30785207
Molecular FormulaC24H19ClN2O3S
Molecular Weight450.95 g/mol
Exact Mass450.08
IUPAC NameN-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(CSc1cccc2cccc(Cl)c12)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H19ClN2O3S/c25-19-6-1-4-17-5-2-8-21(23(17)19)31-15-22(28)26-14-16-9-11-18(12-10-16)27-24(29)20-7-3-13-30-20/h1-13H,14-15H2,(H,26,28)(H,27,29)
InChIKeyQBUDYCFIYXCSLU-UHFFFAOYSA-N
XLogP5.75
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]furan-2-carbohydrazide
CID 9477026
N-[4-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 18145259
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2679594
N-[4-[[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 60575821
2-(8-chloronaphthalen-1-yl)sulfanyl-N-phenylacetamide
CID 4163623
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 9314399
N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 32731119
N-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 46671768
N-[4-[[[2-(2-hydroxyphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 78833691
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide (CID 30785207) is N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide is O=C(CSc1cccc2cccc(Cl)c12)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is QBUDYCFIYXCSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O3S/c25-19-6-1-4-17-5-2-8-21(23(17)19)31-15-22(28)26-14-16-9-11-18(12-10-16)27-24(29)20-7-3-13-30-20/h1-13H,14-15H2,(H,26,28)(H,27,29).
What are the key properties of N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 450.95 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 30785207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).