N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide

C22H19N3O3S — CID 18913151

IUPACN-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
SMILESCC(Sc1cccc(NC(=O)c2ccco2)c1)C(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C22H19N3O3S/c1-14(21(26)24-17-8-7-15-9-10-23-19(15)13-17)29-18-5-2-4-16(12-18)25-22(27)20-6-3-11-28-20/h2-14,23H,1H3,(H,24,26)(H,25,27)
InChIKeyPDPFMCNLTBTBMG-UHFFFAOYSA-N
MW405.48 g/mol
LogP5.13
Rot. Bonds6

About N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide

N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 18913151) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
PubChem CID18913151
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
SMILESCC(Sc1cccc(NC(=O)c2ccco2)c1)C(=O)Nc1ccc2cc[nH]c2c1
InChIInChI=1S/C22H19N3O3S/c1-14(21(26)24-17-8-7-15-9-10-23-19(15)13-17)29-18-5-2-4-16(12-18)25-22(27)20-6-3-11-28-20/h2-14,23H,1H3,(H,24,26)(H,25,27)
InChIKeyPDPFMCNLTBTBMG-UHFFFAOYSA-N
XLogP5.13
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.48
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913138
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1H-indol-6-yl)propanamide
CID 18912647
N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 22777979
N-[3-[1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913147
N-[3-[1-(2,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904422
N-[3-[1-(5-chloro-2,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18904419
N-[(E)-3-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylanilino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 19320547
N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908164
N-[3-[1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18899862
N-[3-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]furan-2-carboxamide
CID 18904628
N-(3-methylsulfanylphenyl)-1H-indole-6-carboxamide
CID 39709233
N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]-4a,10a-dihydrophenothiazine-10-carboxamide
CID 19299335

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide (CID 18913151) is N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide is CC(Sc1cccc(NC(=O)c2ccco2)c1)C(=O)Nc1ccc2cc[nH]c2c1.
What is the InChIKey of N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The InChIKey is PDPFMCNLTBTBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-14(21(26)24-17-8-7-15-9-10-23-19(15)13-17)29-18-5-2-4-16(12-18)25-22(27)20-6-3-11-28-20/h2-14,23H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide?
N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 5.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 18913151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).