N-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide

C15H16N2O2S2 — CID 4942342

IUPACN-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)N(CCO)Cc1ccccc1)c1cccs1
InChIInChI=1S/C15H16N2O2S2/c18-9-8-17(11-12-5-2-1-3-6-12)15(20)16-14(19)13-7-4-10-21-13/h1-7,10,18H,8-9,11H2,(H,16,19,20)
InChIKeyHAIRTCCZHRRIFI-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.26
Rot. Bonds5

About N-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide

N-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 4942342) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide
PubChem CID4942342
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC NameN-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide
SMILESO=C(NC(=S)N(CCO)Cc1ccccc1)c1cccs1
InChIInChI=1S/C15H16N2O2S2/c18-9-8-17(11-12-5-2-1-3-6-12)15(20)16-14(19)13-7-4-10-21-13/h1-7,10,18H,8-9,11H2,(H,16,19,20)
InChIKeyHAIRTCCZHRRIFI-UHFFFAOYSA-N
XLogP2.26
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[benzyl(2-cyanoethyl)carbamothioyl]thiophene-2-carboxamide
CID 43911955
N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 78821590
N-[benzyl(2-hydroxyethyl)carbamothioyl]cyclopropanecarboxamide
CID 2422869
N-[2-[acetyl(benzyl)amino]ethyl]thiophene-2-carboxamide
CID 113053992
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-benzyl-3-(2,6-diethylphenyl)-1-(2-hydroxyethyl)thiourea
CID 5020523
(E)-N-[benzyl(2-hydroxyethyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide
CID 6234874
3-[2-hydroxyethyl(thiophene-2-carbonyl)amino]propanoic acid
CID 82324429
N-formylthiophene-2-carboxamide
CID 2771336
N-benzyl-N-(2-hydroxyethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78855278
N-benzylthiophene-2-carboxamide
CID 574227
N-[2-[3-[benzyl(methyl)amino]propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 41306986

Frequently Asked Questions

What is the IUPAC name of N-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide (CID 4942342) is N-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide is O=C(NC(=S)N(CCO)Cc1ccccc1)c1cccs1.
What is the InChIKey of N-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is HAIRTCCZHRRIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c18-9-8-17(11-12-5-2-1-3-6-12)15(20)16-14(19)13-7-4-10-21-13/h1-7,10,18H,8-9,11H2,(H,16,19,20).
What are the key properties of N-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide?
N-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[benzyl(2-hydroxyethyl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 4942342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).