N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide

C22H21N3O4S — CID 22777979

IUPACN-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Sc2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-14(21(27)24-17-7-5-16(6-8-17)23-15(2)26)30-19-11-9-18(10-12-19)25-22(28)20-4-3-13-29-20/h3-14H,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyKZWCZSMZUGAWBG-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.61
Rot. Bonds7

About N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide

N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide (PubChem CID 22777979) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
PubChem CID22777979
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)Sc2ccc(NC(=O)c3ccco3)cc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-14(21(27)24-17-7-5-16(6-8-17)23-15(2)26)30-19-11-9-18(10-12-19)25-22(28)20-4-3-13-29-20/h3-14H,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyKZWCZSMZUGAWBG-UHFFFAOYSA-N
XLogP4.61
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-phenylsulfanylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 51327723
N-[3-[1-oxo-1-(pyridin-4-ylamino)propan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913138
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 2534154
(2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 9452084
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[3-[1-(1H-indol-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 18913151
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
S-[4-[2-(4-acetamidophenyl)sulfanylpropanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56576789
N-[4-[(2,2-diphenylacetyl)amino]phenyl]furan-2-carboxamide
CID 2286846

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide (CID 22777979) is N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide is CC(=O)Nc1ccc(NC(=O)C(C)Sc2ccc(NC(=O)c3ccco3)cc2)cc1.
What is the InChIKey of N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide?
The InChIKey is KZWCZSMZUGAWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-14(21(27)24-17-7-5-16(6-8-17)23-15(2)26)30-19-11-9-18(10-12-19)25-22(28)20-4-3-13-29-20/h3-14H,1-2H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide?
N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 4.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide is sourced from PubChem (CID 22777979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).