N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide

C14H18N2O3S — CID 108542235

IUPACN-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCNC(=O)C1CCCO1)c1ccccc1S
InChIInChI=1S/C14H18N2O3S/c17-13(10-4-1-2-6-12(10)20)15-7-8-16-14(18)11-5-3-9-19-11/h1-2,4,6,11,20H,3,5,7-9H2,(H,15,17)(H,16,18)
InChIKeyJVHVWXSSPMXNOD-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.00
Rot. Bonds5

About N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide

N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide (PubChem CID 108542235) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide
PubChem CID108542235
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCNC(=O)C1CCCO1)c1ccccc1S
InChIInChI=1S/C14H18N2O3S/c17-13(10-4-1-2-6-12(10)20)15-7-8-16-14(18)11-5-3-9-19-11/h1-2,4,6,11,20H,3,5,7-9H2,(H,15,17)(H,16,18)
InChIKeyJVHVWXSSPMXNOD-UHFFFAOYSA-N
XLogP1.00
TPSA67.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-benzamidoacetyl)amino]ethyl]oxolane-2-carboxamide
CID 108539293
N-[2-[[4-[(2-benzoylbenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062639
N-(3-phenylbutyl)oxolane-2-carboxamide
CID 110357557
N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 108542472
N-[2-[(3-methoxybenzoyl)amino]ethyl]oxolane-2-carboxamide
CID 42944644
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
N-[2-(N-acetylanilino)ethyl]oxolane-2-carboxamide
CID 113057159
N-[2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]ethyl]oxolane-2-carboxamide
CID 121062632
N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide
CID 42940584
N-(3-amino-3-phenylpropyl)oxane-2-carboxamide
CID 80506763
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]oxolane-2-carboxamide
CID 108540726
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide (CID 108542235) is N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide is O=C(NCCNC(=O)C1CCCO1)c1ccccc1S.
What is the InChIKey of N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide?
The InChIKey is JVHVWXSSPMXNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-13(10-4-1-2-6-12(10)20)15-7-8-16-14(18)11-5-3-9-19-11/h1-2,4,6,11,20H,3,5,7-9H2,(H,15,17)(H,16,18).
What are the key properties of N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide?
N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-sulfanylbenzoyl)amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 108542235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).