N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide

C28H25N3O3S — CID 4279066

IUPACN-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide
SMILESO=C(CSc1cn(CCNC(=O)c2ccc3ccccc3c2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C28H25N3O3S/c32-27(30-17-23-8-5-15-34-23)19-35-26-18-31(25-10-4-3-9-24(25)26)14-13-29-28(33)22-12-11-20-6-1-2-7-21(20)16-22/h1-12,15-16,18H,13-14,17,19H2,(H,29,33)(H,30,32)
InChIKeyBRRIUKLKAYFJMM-UHFFFAOYSA-N
MW483.59 g/mol
LogP5.23
Rot. Bonds9

About N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide

N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide (PubChem CID 4279066) has the molecular formula C28H25N3O3S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide
PubChem CID4279066
Molecular FormulaC28H25N3O3S
Molecular Weight483.59 g/mol
Exact Mass483.16
IUPAC NameN-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide
SMILESO=C(CSc1cn(CCNC(=O)c2ccc3ccccc3c2)c2ccccc12)NCc1ccco1
InChIInChI=1S/C28H25N3O3S/c32-27(30-17-23-8-5-15-34-23)19-35-26-18-31(25-10-4-3-9-24(25)26)14-13-29-28(33)22-12-11-20-6-1-2-7-21(20)16-22/h1-12,15-16,18H,13-14,17,19H2,(H,29,33)(H,30,32)
InChIKeyBRRIUKLKAYFJMM-UHFFFAOYSA-N
XLogP5.23
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.59
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
N-Furan-2-ylmethyl-2-(3-propionyl-indol-1-yl)-acetamide
CID 955329
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 582676
2-Amino-N-furan-2-ylmethyl-3-(1H-indol-3-yl)-propionamide
CID 582509
2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 973997
3-(1-Benzyl-1H-indol-3-yl)-2-cyano-N-furan-2-ylmethyl-acrylamide
CID 1073560
2-Cyano-N-(2,5-dimethyl-phenyl)-3-(1-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-1H-indol-3-yl)-acrylamide
CID 1140643
N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide
CID 2156387
N-(2-furylmethyl)-2-(8-quinolylthio)acetamide
CID 2306374
2-(furan-2-carbonyl)-N-[2-(1H-indol-3-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2998186
N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216731
4-methoxy-N-(2-{3-[(2-morpholin-4-yl-2-oxoethyl)thio]-1H-indol-1-yl}ethyl)benzamide
CID 3236279

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide (CID 4279066) is N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide is O=C(CSc1cn(CCNC(=O)c2ccc3ccccc3c2)c2ccccc12)NCc1ccco1.
What is the InChIKey of N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide?
The InChIKey is BRRIUKLKAYFJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3S/c32-27(30-17-23-8-5-15-34-23)19-35-26-18-31(25-10-4-3-9-24(25)26)14-13-29-28(33)22-12-11-20-6-1-2-7-21(20)16-22/h1-12,15-16,18H,13-14,17,19H2,(H,29,33)(H,30,32).
What are the key properties of N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide?
N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 5.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 4279066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).