N-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide

C17H17N3O4S — CID 70426702

IUPACN-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide
SMILESCCN1C(=O)C(C)(C)c2cc(NC(=O)c3cccs3)c([N+](=O)[O-])cc21
InChIInChI=1S/C17H17N3O4S/c1-4-19-12-9-13(20(23)24)11(8-10(12)17(2,3)16(19)22)18-15(21)14-6-5-7-25-14/h5-9H,4H2,1-3H3,(H,18,21)
InChIKeyCDPMJAYXLAFRTK-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.55
Rot. Bonds4

About N-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide

N-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide (PubChem CID 70426702) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide
PubChem CID70426702
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide
SMILESCCN1C(=O)C(C)(C)c2cc(NC(=O)c3cccs3)c([N+](=O)[O-])cc21
InChIInChI=1S/C17H17N3O4S/c1-4-19-12-9-13(20(23)24)11(8-10(12)17(2,3)16(19)22)18-15(21)14-6-5-7-25-14/h5-9H,4H2,1-3H3,(H,18,21)
InChIKeyCDPMJAYXLAFRTK-UHFFFAOYSA-N
XLogP3.55
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1,3,3-trimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide
CID 70422048
N-(3,3-dimethyl-6-nitro-2-oxo-1-pentylindol-5-yl)-2-formylthiophene-3-carboxamide
CID 88652359
5-amino-1-ethyl-3,3-dimethyl-6-nitroindol-2-one
CID 23092649
N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 675560
N-(3,4-dinitrophenyl)thiophene-2-carboxamide
CID 86673965
N-(4-chloro-3-nitrophenyl)thiophene-2-carboxamide
CID 768178
N-(4-nitro-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 3139607
6-amino-3,3-dimethyl-1-pentyl-5-(propan-2-ylamino)indol-2-one;3,3-dimethyl-6-nitro-1-pentyl-5-(propan-2-ylamino)indol-2-one
CID 69492299
N-(4-acetamido-2,5-diethoxyphenyl)thiophene-2-carboxamide
CID 863526
N-(5-nitro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 16850445
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide (CID 70426702) is N-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide is CCN1C(=O)C(C)(C)c2cc(NC(=O)c3cccs3)c([N+](=O)[O-])cc21.
What is the InChIKey of N-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide?
The InChIKey is CDPMJAYXLAFRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-4-19-12-9-13(20(23)24)11(8-10(12)17(2,3)16(19)22)18-15(21)14-6-5-7-25-14/h5-9H,4H2,1-3H3,(H,18,21).
What are the key properties of N-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide?
N-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,3-dimethyl-6-nitro-2-oxoindol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 70426702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).