N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide

C17H17N3O5S — CID 1247216

IUPACN-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide
SMILESCc1cc(OCC(=O)Nc2sccc2C(=O)NC2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O5S/c1-10-8-12(4-5-14(10)20(23)24)25-9-15(21)19-17-13(6-7-26-17)16(22)18-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,18,22)(H,19,21)
InChIKeyKOOOZEGQBOXGKD-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.87
Rot. Bonds7

About N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide

N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide (PubChem CID 1247216) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide
PubChem CID1247216
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide
SMILESCc1cc(OCC(=O)Nc2sccc2C(=O)NC2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O5S/c1-10-8-12(4-5-14(10)20(23)24)25-9-15(21)19-17-13(6-7-26-17)16(22)18-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,18,22)(H,19,21)
InChIKeyKOOOZEGQBOXGKD-UHFFFAOYSA-N
XLogP2.87
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide
CID 60590919
N-cyclopropyl-2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]thiophene-3-carboxamide
CID 71935395
2-(3-methyl-4-nitrophenoxy)acetohydrazide
CID 2063569
N-tert-butyl-2-(3-methyl-4-nitrophenoxy)acetamide
CID 1406792
6-methyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 19237202
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361413
3-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]propanoic acid
CID 53264025
ethyl 2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 1406919
N-cyclopropyl-2-[(3-methoxy-4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 60590871
2-(3-methyl-4-nitrophenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 1406826
2-(3-methyl-4-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31880593
ethyl (6R)-6-ethyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1282923

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide (CID 1247216) is N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide is Cc1cc(OCC(=O)Nc2sccc2C(=O)NC2CC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is KOOOZEGQBOXGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-10-8-12(4-5-14(10)20(23)24)25-9-15(21)19-17-13(6-7-26-17)16(22)18-11-2-3-11/h4-8,11H,2-3,9H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide?
N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 1247216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).