5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride

C16H19ClN4O5S — CID 71782824

IUPAC5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCN(C(=O)c2ccsc2)CC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H18N4O5S.ClH/c21-15(13-1-2-14(25-13)20(23)24)17-4-5-18-6-8-19(9-7-18)16(22)12-3-10-26-11-12;/h1-3,10-11H,4-9H2,(H,17,21);1H
InChIKeySHTAJQMDCYWZQU-UHFFFAOYSA-N
MW414.87 g/mol
LogP1.86
Rot. Bonds6

About 5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride

5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride (PubChem CID 71782824) has the molecular formula C16H19ClN4O5S and a molecular weight of 414.87 g/mol. Its IUPAC name is 5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
PubChem CID71782824
Molecular FormulaC16H19ClN4O5S
Molecular Weight414.87 g/mol
Exact Mass414.08
IUPAC Name5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCN(C(=O)c2ccsc2)CC1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H18N4O5S.ClH/c21-15(13-1-2-14(25-13)20(23)24)17-4-5-18-6-8-19(9-7-18)16(22)12-3-10-26-11-12;/h1-3,10-11H,4-9H2,(H,17,21);1H
InChIKeySHTAJQMDCYWZQU-UHFFFAOYSA-N
XLogP1.86
TPSA108.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-nitro-N-(2-piperazin-1-ylethyl)furan-2-carboxamide;hydrochloride
CID 119445931
N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide;hydrochloride
CID 71782823
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-nitrofuran-2-carboxamide
CID 34999671
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-nitrofuran-2-carboxamide
CID 94116270
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-nitrofuran-2-carboxamide
CID 97020043
N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 90500457
N-(5-bromopentyl)-5-nitrofuran-2-carboxamide
CID 107321741
N-(3-aminopropyl)-5-nitrofuran-2-carboxamide
CID 24697621
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-5-nitrofuran-2-carboxamide
CID 94119592

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of 5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride (CID 71782824) is 5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for 5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride is Cl.O=C(NCCN1CCN(C(=O)c2ccsc2)CC1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride?
The InChIKey is SHTAJQMDCYWZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S.ClH/c21-15(13-1-2-14(25-13)20(23)24)17-4-5-18-6-8-19(9-7-18)16(22)12-3-10-26-11-12;/h1-3,10-11H,4-9H2,(H,17,21);1H.
What are the key properties of 5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride?
5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride has a molecular weight of 414.87 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 71782824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).