2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide

C16H23N3O3S — CID 4930344

IUPAC2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide
SMILESCC(C)COc1ccc(C(=O)NNC(=S)NC(=O)C(C)C)cc1
InChIInChI=1S/C16H23N3O3S/c1-10(2)9-22-13-7-5-12(6-8-13)15(21)18-19-16(23)17-14(20)11(3)4/h5-8,10-11H,9H2,1-4H3,(H,18,21)(H2,17,19,20,23)
InChIKeyNQDKREUMHRMROT-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.01
Rot. Bonds5

About 2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide

2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide (PubChem CID 4930344) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide
PubChem CID4930344
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide
SMILESCC(C)COc1ccc(C(=O)NNC(=S)NC(=O)C(C)C)cc1
InChIInChI=1S/C16H23N3O3S/c1-10(2)9-22-13-7-5-12(6-8-13)15(21)18-19-16(23)17-14(20)11(3)4/h5-8,10-11H,9H2,1-4H3,(H,18,21)(H2,17,19,20,23)
InChIKeyNQDKREUMHRMROT-UHFFFAOYSA-N
XLogP2.01
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-2-phenylacetamide
CID 4930298
2-methyl-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]propanamide
CID 4933372
N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-4-phenylbenzamide
CID 4930224
N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953228
3,4,5-trimethoxy-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]benzamide
CID 4930269
ethyl 4-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioylamino]-4-oxobut-2-enoate
CID 4930348
N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 4937627
N'-[4-(2-methylpropoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177578
4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4930158
4-(2-methylpropoxy)-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide
CID 4937739
N'-[4-(2-methylpropoxy)benzoyl]-4-pentoxybenzohydrazide
CID 4935435

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide?
The IUPAC name of 2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide (CID 4930344) is 2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide?
The canonical SMILES for 2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide is CC(C)COc1ccc(C(=O)NNC(=S)NC(=O)C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide?
The InChIKey is NQDKREUMHRMROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-10(2)9-22-13-7-5-12(6-8-13)15(21)18-19-16(23)17-14(20)11(3)4/h5-8,10-11H,9H2,1-4H3,(H,18,21)(H2,17,19,20,23).
What are the key properties of 2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide?
2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide has a molecular weight of 337.45 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]propanamide is sourced from PubChem (CID 4930344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).