N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide

C14H14N2O3S — CID 2211824

IUPACN-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide
SMILESC[C@H](CNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O3S/c1-10(9-15-14(17)13-3-2-8-20-13)11-4-6-12(7-5-11)16(18)19/h2-8,10H,9H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyFIDBVIGZDMSOQJ-SNVBAGLBSA-N
MW290.34 g/mol
LogP3.19
Rot. Bonds5

About N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide

N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide (PubChem CID 2211824) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide
PubChem CID2211824
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide
SMILESC[C@H](CNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H14N2O3S/c1-10(9-15-14(17)13-3-2-8-20-13)11-4-6-12(7-5-11)16(18)19/h2-8,10H,9H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyFIDBVIGZDMSOQJ-SNVBAGLBSA-N
XLogP3.19
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2,6-dichloro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702472
4-iodo-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702488
4-fluoro-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702481
5-nitro-N-(2-phenylpropyl)-1-benzothiophene-2-carboxamide
CID 46635237
5-nitro-N-[(2R)-2-phenylpropyl]-1-benzothiophene-2-carboxamide
CID 9456895
N-[3-(4-nitroanilino)propyl]thiophene-2-carboxamide
CID 3110729
N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-carboxamide
CID 102908401
3,5-dimethoxy-N-[2-(4-nitrophenyl)propyl]benzamide
CID 4702465
N-[2-hydroxy-2-(4-nitrophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 43001530
2-bromo-2,2-difluoro-N-[2-(4-nitrophenyl)propyl]acetamide
CID 4702443
N-[2-(thiophene-2-carbonylamino)propyl]thiophene-2-carboxamide
CID 2837035
N-[(2R)-2-(4-nitrophenyl)propyl]-3-(trifluoromethyl)benzamide
CID 1297064

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide (CID 2211824) is N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide is C[C@H](CNC(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide?
The InChIKey is FIDBVIGZDMSOQJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-10(9-15-14(17)13-3-2-8-20-13)11-4-6-12(7-5-11)16(18)19/h2-8,10H,9H2,1H3,(H,15,17)/t10-/m1/s1.
What are the key properties of N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide?
N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-nitrophenyl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 2211824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).