N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide

C16H19N3O3S — CID 119701086

IUPACN-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCOCCNCC(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C16H19N3O3S/c1-22-8-7-17-11-15(20)18-12-4-2-5-13(10-12)19-16(21)14-6-3-9-23-14/h2-6,9-10,17H,7-8,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyHSPDYDOWKZAQBE-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.17
Rot. Bonds8

About N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide

N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide (PubChem CID 119701086) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
PubChem CID119701086
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
SMILESCOCCNCC(=O)Nc1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C16H19N3O3S/c1-22-8-7-17-11-15(20)18-12-4-2-5-13(10-12)19-16(21)14-6-3-9-23-14/h2-6,9-10,17H,7-8,11H2,1H3,(H,18,20)(H,19,21)
InChIKeyHSPDYDOWKZAQBE-UHFFFAOYSA-N
XLogP2.17
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
N-[3-(2-methoxyethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 54819707
N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 17476352
N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 18161069
2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
CID 79282011
2-(2-methoxyethylamino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54819962
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
2-(2-methoxyethylamino)-N-[3-(propylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119795017
N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 29335398

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide (CID 119701086) is N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide is COCCNCC(=O)Nc1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide?
The InChIKey is HSPDYDOWKZAQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-22-8-7-17-11-15(20)18-12-4-2-5-13(10-12)19-16(21)14-6-3-9-23-14/h2-6,9-10,17H,7-8,11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide?
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 119701086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).