N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide

C17H20N2O3S — CID 17498578

IUPACN-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)CCCNC(=O)c1ccsc1
InChIInChI=1S/C17H20N2O3S/c1-12-5-6-15(22-2)14(10-12)19-16(20)4-3-8-18-17(21)13-7-9-23-11-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySQBYLPAYIZSJJQ-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.21
Rot. Bonds7

About N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide

N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide (PubChem CID 17498578) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide
PubChem CID17498578
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)CCCNC(=O)c1ccsc1
InChIInChI=1S/C17H20N2O3S/c1-12-5-6-15(22-2)14(10-12)19-16(20)4-3-8-18-17(21)13-7-9-23-11-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySQBYLPAYIZSJJQ-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
CID 9098271
N-[4-(5-chloro-2-phenoxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 55375845
N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266
N-[4-(2,6-dimethylanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 51191802
N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
N-[4-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 39958882
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
N-[4-[2-(2-bromo-4,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 32623799
N-[4-(5-chloro-2-methoxyanilino)-4-oxobutyl]benzamide
CID 39753632
methyl 4,5-dimethyl-2-[4-(thiophene-3-carbonylamino)butanoylamino]thiophene-3-carboxylate
CID 78802955
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide (CID 17498578) is N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide is COc1ccc(C)cc1NC(=O)CCCNC(=O)c1ccsc1.
What is the InChIKey of N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide?
The InChIKey is SQBYLPAYIZSJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12-5-6-15(22-2)14(10-12)19-16(20)4-3-8-18-17(21)13-7-9-23-11-13/h5-7,9-11H,3-4,8H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide?
N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-3-carboxamide is sourced from PubChem (CID 17498578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).