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

C16H17N3O4 — CID 2534154

IUPACN-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H17N3O4/c1-10(17-16(22)14-4-3-9-23-14)15(21)19-13-7-5-12(6-8-13)18-11(2)20/h3-10H,1-2H3,(H,17,22)(H,18,20)(H,19,21)/t10-/m0/s1
InChIKeyCDSKDAMRXCGYPQ-JTQLQIEISA-N
MW315.33 g/mol
LogP2.00
Rot. Bonds5

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

N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 2534154) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID2534154
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H17N3O4/c1-10(17-16(22)14-4-3-9-23-14)15(21)19-13-7-5-12(6-8-13)18-11(2)20/h3-10H,1-2H3,(H,17,22)(H,18,20)(H,19,21)/t10-/m0/s1
InChIKeyCDSKDAMRXCGYPQ-JTQLQIEISA-N
XLogP2.00
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-anilino-1-oxopropan-2-yl]furan-2-carboxamide
CID 42561606
N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide
CID 24635381
N-[(2S)-1-oxo-1-[4-(pyrimidin-2-ylamino)anilino]propan-2-yl]furan-2-carboxamide
CID 146098608
N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24664556
N-[4-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanylphenyl]furan-2-carboxamide
CID 22777979
N-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 42561579
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 43043446
N-[1-oxo-1-[4-(2-thiomorpholin-4-ylethyl)anilino]propan-2-yl]furan-2-carboxamide
CID 49058408
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
N-[(2S)-1-[3-chloro-4-(difluoromethoxy)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 24576002
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide (CID 2534154) is N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@H](C)NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is CDSKDAMRXCGYPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17N3O4/c1-10(17-16(22)14-4-3-9-23-14)15(21)19-13-7-5-12(6-8-13)18-11(2)20/h3-10H,1-2H3,(H,17,22)(H,18,20)(H,19,21)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2534154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).