N-(2-carbamothioylphenyl)oxolane-2-carboxamide

C12H14N2O2S — CID 24701220

IUPACN-(2-carbamothioylphenyl)oxolane-2-carboxamide
SMILESNC(=S)c1ccccc1NC(=O)C1CCCO1
InChIInChI=1S/C12H14N2O2S/c13-11(17)8-4-1-2-5-9(8)14-12(15)10-6-3-7-16-10/h1-2,4-5,10H,3,6-7H2,(H2,13,17)(H,14,15)
InChIKeyUCZUAZGDLJONQN-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.44
Rot. Bonds3

About N-(2-carbamothioylphenyl)oxolane-2-carboxamide

N-(2-carbamothioylphenyl)oxolane-2-carboxamide (PubChem CID 24701220) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)oxolane-2-carboxamide
PubChem CID24701220
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(2-carbamothioylphenyl)oxolane-2-carboxamide
SMILESNC(=S)c1ccccc1NC(=O)C1CCCO1
InChIInChI=1S/C12H14N2O2S/c13-11(17)8-4-1-2-5-9(8)14-12(15)10-6-3-7-16-10/h1-2,4-5,10H,3,6-7H2,(H2,13,17)(H,14,15)
InChIKeyUCZUAZGDLJONQN-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[2-(phenylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7347410
N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
CID 82034964
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
N-[2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]oxane-2-carboxamide
CID 76937440
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid
CID 104855642
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7248012
(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664
ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate
CID 27161050
N-(2-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 24702582
(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-carbamothioylphenyl)oxolane-2-carboxamide (CID 24701220) is N-(2-carbamothioylphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-carbamothioylphenyl)oxolane-2-carboxamide is NC(=S)c1ccccc1NC(=O)C1CCCO1.
What is the InChIKey of N-(2-carbamothioylphenyl)oxolane-2-carboxamide?
The InChIKey is UCZUAZGDLJONQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c13-11(17)8-4-1-2-5-9(8)14-12(15)10-6-3-7-16-10/h1-2,4-5,10H,3,6-7H2,(H2,13,17)(H,14,15).
What are the key properties of N-(2-carbamothioylphenyl)oxolane-2-carboxamide?
N-(2-carbamothioylphenyl)oxolane-2-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 24701220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).