5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide

C15H13N3O4S — CID 71940657

IUPAC5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H13N3O4S/c1-8(9-2-3-11-10(6-9)7-13(19)17-11)16-15(20)12-4-5-14(23-12)18(21)22/h2-6,8H,7H2,1H3,(H,16,20)(H,17,19)
InChIKeyKVNOJDRIEKKAIT-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.64
Rot. Bonds4

About 5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide

5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide (PubChem CID 71940657) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is 5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide
PubChem CID71940657
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC Name5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C15H13N3O4S/c1-8(9-2-3-11-10(6-9)7-13(19)17-11)16-15(20)12-4-5-14(23-12)18(21)22/h2-6,8H,7H2,1H3,(H,16,20)(H,17,19)
InChIKeyKVNOJDRIEKKAIT-UHFFFAOYSA-N
XLogP2.64
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
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-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-5-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 166228682
N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 124605984
3-oxo-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-4H-1,4-benzothiazine-6-carboxamide
CID 51118129
2-amino-2-(4-methylphenyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]acetamide
CID 120667587
2-(aminomethyl)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119736222
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221
1-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296412
7-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]heptanamide
CID 119736199
2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120589439
1-ethyl-2,5-dimethyl-N-[(1R)-1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]pyrrole-3-carboxamide
CID 96997257
N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-3-phenylfuran-2-carboxamide
CID 154774789
5-[(1R)-1-(4-fluoro-2-nitroanilino)ethyl]-1,3-dihydroindol-2-one
CID 94182842

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide (CID 71940657) is 5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is KVNOJDRIEKKAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c1-8(9-2-3-11-10(6-9)7-13(19)17-11)16-15(20)12-4-5-14(23-12)18(21)22/h2-6,8H,7H2,1H3,(H,16,20)(H,17,19).
What are the key properties of 5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide?
5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 71940657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).