2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide

C15H24N4OS — CID 8790877

IUPAC2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=S)NCCN(C)C
InChIInChI=1S/C15H24N4OS/c1-11-6-5-7-12(2)14(11)18-13(20)10-17-15(21)16-8-9-19(3)4/h5-7H,8-10H2,1-4H3,(H,18,20)(H2,16,17,21)
InChIKeyDPDUGROQQDXDGO-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.27
Rot. Bonds6

About 2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide

2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 8790877) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID8790877
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=S)NCCN(C)C
InChIInChI=1S/C15H24N4OS/c1-11-6-5-7-12(2)14(11)18-13(20)10-17-15(21)16-8-9-19(3)4/h5-7H,8-10H2,1-4H3,(H,18,20)(H2,16,17,21)
InChIKeyDPDUGROQQDXDGO-UHFFFAOYSA-N
XLogP1.27
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-(methylcarbamothioylamino)acetamide
CID 8790815
N-(2,6-dimethylphenyl)-2-(2-morpholin-4-ium-4-ylethylcarbamothioylamino)acetamide
CID 8790841
2-(cyclopropylcarbamothioylamino)-N-(2,6-dimethylphenyl)acetamide
CID 8790894
N-(2,6-dimethylphenyl)-2-[(4-fluorophenyl)carbamothioylamino]acetamide
CID 8790825
1-[2-(dimethylamino)ethyl]-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]thiourea
CID 8768001
2-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2112763
N-(2,6-dimethylphenyl)-2-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]acetamide
CID 8790889
N-[3-(dimethylamino)propyl]-2-(2,6-dimethylanilino)acetamide
CID 108995266
3-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109016429
1-(2,6-dimethylphenyl)-3-(2-hydroxyethyl)thiourea
CID 2731006
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-N-(2,6-dimethylphenyl)acetamide
CID 8790864

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide (CID 8790877) is 2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CNC(=S)NCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is DPDUGROQQDXDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-11-6-5-7-12(2)14(11)18-13(20)10-17-15(21)16-8-9-19(3)4/h5-7H,8-10H2,1-4H3,(H,18,20)(H2,16,17,21).
What are the key properties of 2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 308.45 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylcarbamothioylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 8790877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).