N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide

C16H18N2OS2 — CID 19187822

IUPACN-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=S)NC(=O)c1cccs1
InChIInChI=1S/C16H18N2OS2/c1-3-11-7-5-8-12(4-2)14(11)17-16(20)18-15(19)13-9-6-10-21-13/h5-10H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyKOIGBPKHJTUCRE-UHFFFAOYSA-N
MW318.47 g/mol
LogP4.00
Rot. Bonds4

About N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide

N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 19187822) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide
PubChem CID19187822
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC NameN-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide
SMILESCCc1cccc(CC)c1NC(=S)NC(=O)c1cccs1
InChIInChI=1S/C16H18N2OS2/c1-3-11-7-5-8-12(4-2)14(11)17-16(20)18-15(19)13-9-6-10-21-13/h5-10H,3-4H2,1-2H3,(H2,17,18,19,20)
InChIKeyKOIGBPKHJTUCRE-UHFFFAOYSA-N
XLogP4.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 54.00
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

4-bromo-N-[(2,6-diethylphenyl)carbamothioyl]benzamide
CID 3004250
N-(phenylcarbamothioyl)thiophene-2-carboxamide
CID 817333
N-[3-(2-methylpropanoylcarbamothioylamino)phenyl]thiophene-2-carboxamide
CID 17099700
N-(pentylcarbamothioyl)thiophene-2-carboxamide
CID 19187814
N-[(3-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 739014
N-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 50875750
N-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide
CID 7341264
N-[(2,6-diethylphenyl)carbamothioyl]cyclopropanecarboxamide
CID 110191073
N-[(3-bromophenyl)carbamothioyl]thiophene-2-carboxamide
CID 17099615
N-(hexylcarbamothioyl)thiophene-2-carboxamide
CID 19187816
N-[4-(butanoylcarbamothioylamino)phenyl]thiophene-2-carboxamide
CID 823741
1-(2,6-diethylphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiourea
CID 8684319

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide (CID 19187822) is N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide is CCc1cccc(CC)c1NC(=S)NC(=O)c1cccs1.
What is the InChIKey of N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is KOIGBPKHJTUCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS2/c1-3-11-7-5-8-12(4-2)14(11)17-16(20)18-15(19)13-9-6-10-21-13/h5-10H,3-4H2,1-2H3,(H2,17,18,19,20).
What are the key properties of N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide?
N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-diethylphenyl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 19187822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).