N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide

C17H19N3O3S — CID 46598567

IUPACN-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCNc1ccccc1[N+](=O)[O-])N(Cc1cccs1)C1CC1
InChIInChI=1S/C17H19N3O3S/c21-17(19(13-7-8-13)12-14-4-3-11-24-14)9-10-18-15-5-1-2-6-16(15)20(22)23/h1-6,11,13,18H,7-10,12H2
InChIKeyLSLFIHIUSGRQHW-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.65
Rot. Bonds8

About N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide

N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 46598567) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID46598567
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCNc1ccccc1[N+](=O)[O-])N(Cc1cccs1)C1CC1
InChIInChI=1S/C17H19N3O3S/c21-17(19(13-7-8-13)12-14-4-3-11-24-14)9-10-18-15-5-1-2-6-16(15)20(22)23/h1-6,11,13,18H,7-10,12H2
InChIKeyLSLFIHIUSGRQHW-UHFFFAOYSA-N
XLogP3.65
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.65
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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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide (CID 46598567) is N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCNc1ccccc1[N+](=O)[O-])N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is LSLFIHIUSGRQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-17(19(13-7-8-13)12-14-4-3-11-24-14)9-10-18-15-5-1-2-6-16(15)20(22)23/h1-6,11,13,18H,7-10,12H2.
What are the key properties of N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide?
N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 345.42 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-nitroanilino)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 46598567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).