N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide

C18H22N2O3S — CID 17102328

IUPACN-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCCCCCC(=O)Nc1ccc(NC(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C18H22N2O3S/c1-3-4-5-8-17(21)19-13-9-10-14(15(12-13)23-2)20-18(22)16-7-6-11-24-16/h6-7,9-12H,3-5,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCEMJOGQARHLKMI-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.53
Rot. Bonds8

About N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide

N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide (PubChem CID 17102328) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
PubChem CID17102328
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
SMILESCCCCCC(=O)Nc1ccc(NC(=O)c2cccs2)c(OC)c1
InChIInChI=1S/C18H22N2O3S/c1-3-4-5-8-17(21)19-13-9-10-14(15(12-13)23-2)20-18(22)16-7-6-11-24-16/h6-7,9-12H,3-5,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCEMJOGQARHLKMI-UHFFFAOYSA-N
XLogP4.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.53
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-[4-(3-aminopropanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide
CID 92944479
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
N-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161370
N-[2-methoxy-4-[[2-(2,4,6-trichloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 17117567
N-[4-[[2-(4-butan-2-ylphenoxy)acetyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 22780919
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[4-[(3,4-dichlorobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3161499
N-[4-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 17117563
N-[2-methoxy-4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 3161498
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
N-[2-methoxy-4-[(2-methyl-2-phenoxypropanoyl)amino]phenyl]thiophene-2-carboxamide
CID 30309153
N-[2-methoxy-4-[(4-propan-2-yloxybenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 3161512

Frequently Asked Questions

What is the IUPAC name of N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide (CID 17102328) is N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide is CCCCCC(=O)Nc1ccc(NC(=O)c2cccs2)c(OC)c1.
What is the InChIKey of N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide?
The InChIKey is CEMJOGQARHLKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-4-5-8-17(21)19-13-9-10-14(15(12-13)23-2)20-18(22)16-7-6-11-24-16/h6-7,9-12H,3-5,8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide?
N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hexanoylamino)-2-methoxyphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 17102328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).