N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide

C16H17N3O3S2 — CID 17150440

IUPACN-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESCOCCNC(=O)c1ccccc1NC(=S)NC(=O)c1cccs1
InChIInChI=1S/C16H17N3O3S2/c1-22-9-8-17-14(20)11-5-2-3-6-12(11)18-16(23)19-15(21)13-7-4-10-24-13/h2-7,10H,8-9H2,1H3,(H,17,20)(H2,18,19,21,23)
InChIKeyVCIBHPVKYKBHKV-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.25
Rot. Bonds6

About N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide

N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide (PubChem CID 17150440) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
PubChem CID17150440
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC NameN-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
SMILESCOCCNC(=O)c1ccccc1NC(=S)NC(=O)c1cccs1
InChIInChI=1S/C16H17N3O3S2/c1-22-9-8-17-14(20)11-5-2-3-6-12(11)18-16(23)19-15(21)13-7-4-10-24-13/h2-7,10H,8-9H2,1H3,(H,17,20)(H2,18,19,21,23)
InChIKeyVCIBHPVKYKBHKV-UHFFFAOYSA-N
XLogP2.25
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorobenzoyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 17150463
N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4936533
N-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4935194
N-(2-methoxyethyl)-2-[[2-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17150502
3-chloro-N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide
CID 17150441
N-(2-methoxyethyl)-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide
CID 17150503
methyl 4-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178653
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17074348
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
methyl 2-[4-(thiophene-2-carbonylamino)butanoylamino]benzoate
CID 39753213
2,4-dichloro-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17148411

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide (CID 17150440) is N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide is COCCNC(=O)c1ccccc1NC(=S)NC(=O)c1cccs1.
What is the InChIKey of N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is VCIBHPVKYKBHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c1-22-9-8-17-14(20)11-5-2-3-6-12(11)18-16(23)19-15(21)13-7-4-10-24-13/h2-7,10H,8-9H2,1H3,(H,17,20)(H2,18,19,21,23).
What are the key properties of N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide?
N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 17150440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).