2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide

C15H23N3OS — CID 63591600

IUPAC2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide
SMILESCN(C)C(C)(C)CNC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H23N3OS/c1-15(2,18(3)4)10-17-13(19)9-11-5-7-12(8-6-11)14(16)20/h5-8H,9-10H2,1-4H3,(H2,16,20)(H,17,19)
InChIKeyJVDSIWAJAURCDR-UHFFFAOYSA-N
MW293.44 g/mol
LogP1.32
Rot. Bonds6

About 2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide

2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide (PubChem CID 63591600) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide
PubChem CID63591600
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide
SMILESCN(C)C(C)(C)CNC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H23N3OS/c1-15(2,18(3)4)10-17-13(19)9-11-5-7-12(8-6-11)14(16)20/h5-8H,9-10H2,1-4H3,(H2,16,20)(H,17,19)
InChIKeyJVDSIWAJAURCDR-UHFFFAOYSA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 51.32
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

N-[2-(tert-butylamino)-2-oxoethyl]-2-(4-carbamothioylphenyl)acetamide
CID 115356330
2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 63613701
2-(4-carbamothioylphenyl)-N-[2-(carbamoylamino)ethyl]acetamide
CID 83120379
N-[(4-carbamothioylphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 62309630
2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105418009
2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
CID 63611510
4-[[2-(4-carbamothioylphenyl)acetyl]amino]butanamide
CID 63591382
N-[2-(dimethylamino)-2-methylpropyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110303265
2-(4-carbamothioylphenyl)-N-(4,4,4-trifluorobutyl)acetamide
CID 115519806
methyl 3-[[2-(4-carbamothioylphenyl)acetyl]amino]propanoate
CID 63591392
N-[(4-carbamothioylphenyl)methyl]-2-(4-chlorophenyl)acetamide
CID 62309826
5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide
CID 106237086

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide (CID 63591600) is 2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide is CN(C)C(C)(C)CNC(=O)Cc1ccc(C(N)=S)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide?
The InChIKey is JVDSIWAJAURCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-15(2,18(3)4)10-17-13(19)9-11-5-7-12(8-6-11)14(16)20/h5-8H,9-10H2,1-4H3,(H2,16,20)(H,17,19).
What are the key properties of 2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide?
2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide has a molecular weight of 293.44 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide is sourced from PubChem (CID 63591600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).