2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide

C14H21N3OS — CID 63613701

IUPAC2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
SMILESCCN(C)CCNC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C14H21N3OS/c1-3-17(2)9-8-16-13(18)10-11-4-6-12(7-5-11)14(15)19/h4-7H,3,8-10H2,1-2H3,(H2,15,19)(H,16,18)
InChIKeyWXORDHZDHYOYKS-UHFFFAOYSA-N
MW279.41 g/mol
LogP0.93
Rot. Bonds7

About 2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide

2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide (PubChem CID 63613701) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
PubChem CID63613701
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
SMILESCCN(C)CCNC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C14H21N3OS/c1-3-17(2)9-8-16-13(18)10-11-4-6-12(7-5-11)14(15)19/h4-7H,3,8-10H2,1-2H3,(H2,15,19)(H,16,18)
InChIKeyWXORDHZDHYOYKS-UHFFFAOYSA-N
XLogP0.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 50.93
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

2-(4-carbamothioylphenyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
CID 63611510
2-(4-carbamothioylphenyl)-N-[2-(carbamoylamino)ethyl]acetamide
CID 83120379
5-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 63749570
4-[[2-(4-carbamothioylphenyl)acetyl]amino]butanamide
CID 63591382
methyl 3-[[2-(4-carbamothioylphenyl)acetyl]amino]propanoate
CID 63591392
5-[[2-(4-carbamothioylphenyl)acetyl]amino]pentanamide
CID 106237086
2-(4-carbamothioylphenyl)-N-[2-(dimethylamino)-2-methylpropyl]acetamide
CID 63591600
4-carbamothioyl-N-[2-(dimethylamino)ethyl]benzamide
CID 24701967
2-(4-carbamothioylphenyl)-N-(4,4,4-trifluorobutyl)acetamide
CID 115519806
N-[(4-carbamothioylphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 62309630
N-[2-[ethyl(methyl)amino]ethyl]-4-(N'-hydroxycarbamimidoyl)benzamide
CID 76947328
2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105418009

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide (CID 63613701) is 2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide is CCN(C)CCNC(=O)Cc1ccc(C(N)=S)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide?
The InChIKey is WXORDHZDHYOYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-3-17(2)9-8-16-13(18)10-11-4-6-12(7-5-11)14(15)19/h4-7H,3,8-10H2,1-2H3,(H2,15,19)(H,16,18).
What are the key properties of 2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide?
2-(4-carbamothioylphenyl)-N-[2-[ethyl(methyl)amino]ethyl]acetamide has a molecular weight of 279.41 g/mol, XLogP of 0.93, 7 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-[ethyl(methyl)amino]ethyl]acetamide is sourced from PubChem (CID 63613701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).