N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide

C20H19N3O3S — CID 18913173

IUPACN-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide
SMILESCCC(Sc1cccc(NC(=O)c2ccco2)c1)C(=O)Nc1ccccn1
InChIInChI=1S/C20H19N3O3S/c1-2-17(20(25)23-18-10-3-4-11-21-18)27-15-8-5-7-14(13-15)22-19(24)16-9-6-12-26-16/h3-13,17H,2H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyCAUNDDAWQRXEPM-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.44
Rot. Bonds7

About N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide

N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 18913173) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide
PubChem CID18913173
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC NameN-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide
SMILESCCC(Sc1cccc(NC(=O)c2ccco2)c1)C(=O)Nc1ccccn1
InChIInChI=1S/C20H19N3O3S/c1-2-17(20(25)23-18-10-3-4-11-21-18)27-15-8-5-7-14(13-15)22-19(24)16-9-6-12-26-16/h3-13,17H,2H2,1H3,(H,22,24)(H,21,23,25)
InChIKeyCAUNDDAWQRXEPM-UHFFFAOYSA-N
XLogP4.44
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2-phenylacetyl)amino]phenyl]sulfanyl-N-pyridin-2-ylbutanamide
CID 19298709
N-[3-[1-(3,5-dimethylanilino)-1-oxobutan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904552
N-[3-[1-oxo-1-[3-(trifluoromethyl)anilino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904532
(E)-4-oxo-4-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylanilino]but-2-enoic acid
CID 18898809
N-[3-[1-(3-chloro-4-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904539
N-[3-[1-oxo-1-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]butan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913175
2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-N-pyridin-2-ylbutanamide
CID 18912525
N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913138
N-[(E)-1-naphthalen-1-yl-3-oxo-3-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19320569
N-[(Z)-1-(4-bromophenyl)-3-oxo-3-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19321505
N-[(E)-1-[4-(dimethylamino)phenyl]-3-oxo-3-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19319849
N-[4-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 23094955

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide (CID 18913173) is N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide is CCC(Sc1cccc(NC(=O)c2ccco2)c1)C(=O)Nc1ccccn1.
What is the InChIKey of N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The InChIKey is CAUNDDAWQRXEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-2-17(20(25)23-18-10-3-4-11-21-18)27-15-8-5-7-14(13-15)22-19(24)16-9-6-12-26-16/h3-13,17H,2H2,1H3,(H,22,24)(H,21,23,25).
What are the key properties of N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide?
N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 18913173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).