N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide

C17H17N3O5S — CID 60590919

IUPACN-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide
SMILESO=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1sccc1C(=O)NC1CC1
InChIInChI=1S/C17H17N3O5S/c21-15(7-9-25-13-5-3-12(4-6-13)20(23)24)19-17-14(8-10-26-17)16(22)18-11-1-2-11/h3-6,8,10-11H,1-2,7,9H2,(H,18,22)(H,19,21)
InChIKeyVJVYPUNXXPNGSK-UHFFFAOYSA-N
MW375.41 g/mol
LogP2.96
Rot. Bonds8

About N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide

N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide (PubChem CID 60590919) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide
PubChem CID60590919
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide
SMILESO=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1sccc1C(=O)NC1CC1
InChIInChI=1S/C17H17N3O5S/c21-15(7-9-25-13-5-3-12(4-6-13)20(23)24)19-17-14(8-10-26-17)16(22)18-11-1-2-11/h3-6,8,10-11H,1-2,7,9H2,(H,18,22)(H,19,21)
InChIKeyVJVYPUNXXPNGSK-UHFFFAOYSA-N
XLogP2.96
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 52.96
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-[[2-(3-methyl-4-nitrophenoxy)acetyl]amino]thiophene-3-carboxamide
CID 1247216
4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid
CID 6468323
methyl N-[2-[[3-(cyclopropylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 71936867
N-cyclopropyl-2-(3-phenoxypropanoylamino)benzamide
CID 26906047
methyl N-[2-(3-phenoxypropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167057
N-(4-hydroxycyclohexyl)-2-(4-nitrophenoxy)acetamide
CID 43389141
N-cyclopropyl-2-[3-(4-ethoxyphenoxy)propanoylamino]benzamide
CID 26906057
N-[3-(4-nitrophenoxy)propyl]cyclopentanamine;oxalic acid
CID 2949061
3-(4-nitrophenoxy)propanoate
CID 6993075
N-naphthalen-1-yl-3-(4-nitrophenoxy)propanamide
CID 38741242
N-(2-methylphenyl)-3-(4-nitrophenoxy)propanamide
CID 38770498
2-[3-(cyclopropylamino)-3-oxopropoxy]-5-nitrobenzoic acid
CID 62628474

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide?
The IUPAC name of N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide (CID 60590919) is N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide is O=C(CCOc1ccc([N+](=O)[O-])cc1)Nc1sccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide?
The InChIKey is VJVYPUNXXPNGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c21-15(7-9-25-13-5-3-12(4-6-13)20(23)24)19-17-14(8-10-26-17)16(22)18-11-1-2-11/h3-6,8,10-11H,1-2,7,9H2,(H,18,22)(H,19,21).
What are the key properties of N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide?
N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide has a molecular weight of 375.41 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(4-nitrophenoxy)propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 60590919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).