2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide

C15H23N3O2S — CID 81298153

IUPAC2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(OC)ccc1C(N)=S
InChIInChI=1S/C15H23N3O2S/c1-5-8-18(10-14(19)17(2)3)13-9-11(20-4)6-7-12(13)15(16)21/h6-7,9H,5,8,10H2,1-4H3,(H2,16,21)
InChIKeyGPFCEDPBSOFHAY-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.63
Rot. Bonds7

About 2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide

2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide (PubChem CID 81298153) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide
PubChem CID81298153
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1cc(OC)ccc1C(N)=S
InChIInChI=1S/C15H23N3O2S/c1-5-8-18(10-14(19)17(2)3)13-9-11(20-4)6-7-12(13)15(16)21/h6-7,9H,5,8,10H2,1-4H3,(H2,16,21)
InChIKeyGPFCEDPBSOFHAY-UHFFFAOYSA-N
XLogP1.63
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioyl-3-chloro-N-propylanilino)-N,N-dimethylacetamide
CID 62948300
2-(2-carbamothioyl-5-chloro-N-ethylanilino)-N,N-dimethylacetamide
CID 55181567
2-[2-hydroxyethyl(methyl)amino]-4-methoxybenzenecarbothioamide
CID 81306245
2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methoxybenzenecarbothioamide
CID 81306601
2-[2-(aminomethyl)-N-ethyl-5-methoxyanilino]-N,N-dimethylacetamide
CID 81298979
2-[2-(dimethylamino)ethyl-propylamino]-4-methoxybenzenecarboximidamide
CID 81302616
2-(2-carbamothioyl-5-methoxy-N-methylanilino)-N-propan-2-ylacetamide
CID 81305666
ethyl 2-(2-carbamothioyl-4-methyl-N-propylanilino)acetate
CID 107928791
2-[benzyl(methyl)amino]-4-methoxybenzenecarbothioamide
CID 81306308
4-methoxy-2-(2-methoxy-N-methylanilino)benzenecarbothioamide
CID 81298185
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62031315
2-[(4-carbamothioyl-3-methoxyphenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 106788800

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide (CID 81298153) is 2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1cc(OC)ccc1C(N)=S.
What is the InChIKey of 2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide?
The InChIKey is GPFCEDPBSOFHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-5-8-18(10-14(19)17(2)3)13-9-11(20-4)6-7-12(13)15(16)21/h6-7,9H,5,8,10H2,1-4H3,(H2,16,21).
What are the key properties of 2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide?
2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide has a molecular weight of 309.44 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioyl-5-methoxy-N-propylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 81298153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).