N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide

C19H17N3O4S — CID 23856004

IUPACN-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1NC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C19H17N3O4S/c1-12-6-7-13(21-19(25)16-5-3-9-27-16)10-14(12)22-17(23)11-20-18(24)15-4-2-8-26-15/h2-10H,11H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyBILCYZDFSBYDMC-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.27
Rot. Bonds6

About N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 23856004) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide
PubChem CID23856004
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2cccs2)cc1NC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C19H17N3O4S/c1-12-6-7-13(21-19(25)16-5-3-9-27-16)10-14(12)22-17(23)11-20-18(24)15-4-2-8-26-15/h2-10H,11H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyBILCYZDFSBYDMC-UHFFFAOYSA-N
XLogP3.27
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880275
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid
CID 1432969
N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383
N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide
CID 30474795
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 17476352
N-[3-[3-(benzotriazol-1-yl)propanoylamino]-4-methylphenyl]thiophene-2-carboxamide
CID 23800699

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide (CID 23856004) is N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)CNC(=O)c1ccco1.
What is the InChIKey of N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is BILCYZDFSBYDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-12-6-7-13(21-19(25)16-5-3-9-27-16)10-14(12)22-17(23)11-20-18(24)15-4-2-8-26-15/h2-10H,11H2,1H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methyl-5-(thiophene-2-carbonylamino)anilino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 23856004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).