N-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide

C16H17N3O3S2 — CID 4039246

IUPACN-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NN=C1CCCC1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H17N3O3S2/c20-16(18-17-12-6-1-2-7-12)13-8-3-4-9-14(13)19-24(21,22)15-10-5-11-23-15/h3-5,8-11,19H,1-2,6-7H2,(H,18,20)
InChIKeyOGJXRFXEVJUAAZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.21
Rot. Bonds5

About N-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide

N-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 4039246) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID4039246
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC NameN-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NN=C1CCCC1)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C16H17N3O3S2/c20-16(18-17-12-6-1-2-7-12)13-8-3-4-9-14(13)19-24(21,22)15-10-5-11-23-15/h3-5,8-11,19H,1-2,6-7H2,(H,18,20)
InChIKeyOGJXRFXEVJUAAZ-UHFFFAOYSA-N
XLogP3.21
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide (CID 4039246) is N-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide is O=C(NN=C1CCCC1)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is OGJXRFXEVJUAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c20-16(18-17-12-6-1-2-7-12)13-8-3-4-9-14(13)19-24(21,22)15-10-5-11-23-15/h3-5,8-11,19H,1-2,6-7H2,(H,18,20).
What are the key properties of N-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide?
N-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-2-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 4039246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).